Metabolite Benzocaine hydroxylamine

Name

Benzocaine hydroxylamine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 181.191
Monoisotopic: 181.073893218

Chemical Formula

C₉H₁₁NO₃

InChI Key

WTIQBXJYUKTCPO-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO3/c1-2-13-9(11)7-3-5-8(10-12)6-4-7/h3-6,10,12H,2H2,1H3

IUPAC Name

ethyl 4-(hydroxyamino)benzoate

SMILES

CCOC(=O)C1=CC=C(NO)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0019-0900000000-e52b6330a35d14997d66
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0900000000-5b6e33a682dab06b5c9a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0900000000-db8bbff339449ce2c3cc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000i-1900000000-1ab6356bc12b470879c9
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0v5a-9300000000-714145e8f9d9644b564b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4l-3900000000-5a8f00854ed8a3cfc4ec

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	135.52925	predicted	DeepCCS 1.0 (2019)
[M+H]+	139.35658	predicted	DeepCCS 1.0 (2019)
[M+Na]+	148.53477	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties