CID 19381931

149353-83-3

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

C1CNCCC2=C1C=CC(=C2)C(=O)O

InChI

InChI=1S/C11H13NO2/c13-11(14)10-2-1-8-3-5-12-6-4-9(8)7-10/h1-2,7,12H,3-6H2,(H,13,14)

InChIKey

UQPHUXVOGUKWCJ-UHFFFAOYSA-N

Compound name

2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 191.09464 Da
Monoisotopic Mass: -1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.10192	138.0
[M+Na]+	214.08386	147.4
[M+NH4]+	209.12846	145.2
[M+K]+	230.05780	143.7
[M-H]-	190.08736	138.6
[M+Na-2H]-	212.06931	142.8
[M]+	191.09409	139.3
[M]-	191.09519	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe