Metabolite 4-(6-hydroxy-2-naphthyl)- butan-2-ol

Name

4-(6-hydroxy-2-naphthyl)- butan-2-ol

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

49OFA35110

CAS number

Not Available

Weight

Average: 216.28
Monoisotopic: 216.115029755

Chemical Formula

C₁₄H₁₆O₂

InChI Key

ATMFTHAMCVAMOK-UHFFFAOYSA-N

InChI

InChI=1S/C14H16O2/c1-10(15)2-3-11-4-5-13-9-14(16)7-6-12(13)8-11/h4-10,15-16H,2-3H2,1H3

IUPAC Name

6-(3-hydroxybutyl)naphthalen-2-ol

SMILES

CC(O)CCC1=CC2=C(C=C1)C=C(O)C=C2

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00kb-0940000000-02a691483a4dfb0d5e22
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014j-0970000000-4761126f74c7b89d58ed
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0900000000-25a09d01044b19511a5b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0900000000-fa6da9cd0e1df8b0f5e6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-052f-0900000000-8e4370a9a4c8014542b4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-1090-0900000000-c932c393090f199326be

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	147.61992	predicted	DeepCCS 1.0 (2019)
[M+H]+	149.97792	predicted	DeepCCS 1.0 (2019)
[M+Na]+	156.21516	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties