CID 134664

Benzodiazepine

Structural Information

Molecular Formula
C9H8N2
SMILES
C1=CC=C2C(=C1)C=CC=NN2
InChI
InChI=1S/C9H8N2/c1-2-6-9-8(4-1)5-3-7-10-11-9/h1-7,11H
InChIKey
SVUOLADPCWQTTE-UHFFFAOYSA-N
Compound name
1H-1,2-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

25081
References

121734
Patents

144.06874 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.076016 124.9
[M+Na]+ 167.057958 132.2
[M-H]- 143.061464 126.8
[M+NH4]+ 162.102563 142.9
[M+K]+ 183.031898 132.6
[M+H-H2O]+ 127.066000 118.5
[M+HCOO]- 189.066941 144.8
[M+CH3COO]- 203.082591 137.6
[M+Na-2H]- 165.043406 135.7
[M]+ 144.06819142 120.0
[M]- 144.06928858 120.0
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

patents stripe