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

5
Annotation Hits: 25060
References: 118943
Patents: 144.06874 Da
Monoisotopic Mass: 1.9
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]+	145.07602	124.9
[M+Na]+	167.05796	132.2
[M-H]-	143.06146	126.8
[M+NH4]+	162.10256	142.9
[M+K]+	183.03190	132.6
[M+H-H2O]+	127.06600	118.5
[M+HCOO]-	189.06694	144.8
[M+CH3COO]-	203.08259	137.6
[M+Na-2H]-	165.04341	135.7
[M]+	144.06819	120.0
[M]-	144.06929	120.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe