Metabolite Uroterpenol

Name

Uroterpenol

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 170.252
Monoisotopic: 170.13067982

Chemical Formula

C₁₀H₁₈O₂

InChI Key

ZJALAEQNHJQSTN-UHFFFAOYSA-N

InChI

InChI=1S/C10H18O2/c1-8-3-5-9(6-4-8)10(2,12)7-11/h3,9,11-12H,4-7H2,1-2H3

IUPAC Name

2-(4-methylcyclohex-3-en-1-yl)propane-1,2-diol

SMILES

CC1=CCC(CC1)C(C)(O)CO

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0fvj-9300000000-393ddc67aa7b8d670ce2
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fkj-2900000000-b5cc7cbf3fc5c9898555
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-1900000000-c01fe1b15e171352bc8a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-9200000000-d3d9f6c6aaa1586cd83c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-2900000000-c34d3d8a206c0d59117a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-9300000000-28c7fc19b2be30559b29
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-9100000000-f95928ac889b74b543bb

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	134.93205	predicted	DeepCCS 1.0 (2019)
[M+H]+	138.50478	predicted	DeepCCS 1.0 (2019)
[M+Na]+	147.72307	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties