CID 115098773

2,3,4,5-tetrahydro-1h-1,5-benzodiazepine-7-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1CNC2=C(C=C(C=C2)C(=O)O)NC1
InChI
InChI=1S/C10H12N2O2/c13-10(14)7-2-3-8-9(6-7)12-5-1-4-11-8/h2-3,6,11-12H,1,4-5H2,(H,13,14)
InChIKey
YZHCDQQWMVAIAP-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 138.3
[M+Na]+ 215.07909 147.1
[M+NH4]+ 210.12369 144.4
[M+K]+ 231.05303 144.1
[M-H]- 191.08259 137.5
[M+Na-2H]- 213.06454 142.2
[M]+ 192.08932 139.0
[M]- 192.09042 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.