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]+ 193.097146 138.6
[M+Na]+ 215.079088 143.3
[M-H]- 191.082594 137.5
[M+NH4]+ 210.123693 153.2
[M+K]+ 231.053028 143.6
[M+H-H2O]+ 175.087130 132.0
[M+HCOO]- 237.088071 152.2
[M+CH3COO]- 251.103721 148.5
[M+Na-2H]- 213.064536 144.1
[M]+ 192.08932142 129.6
[M]- 192.09041858 129.6
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.