CID 13703324

28544-83-4

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

C1CNC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C9H10N2O/c12-9-7-3-1-2-4-8(7)10-5-6-11-9/h1-4,10H,5-6H2,(H,11,12)

InChIKey

WCNVOWWRJIZZKA-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 131
Patents: 162.07932 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]+	163.08660	131.3
[M+Na]+	185.06854	141.6
[M+NH4]+	180.11314	138.6
[M+K]+	201.04248	137.3
[M-H]-	161.07204	131.8
[M+Na-2H]-	183.05399	136.8
[M]+	162.07877	132.7
[M]-	162.07987	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe