CID 59832

Brn 4432390

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

C1CN(C2=CC=CC=C2NC1=O)C=O

InChI

InChI=1S/C10H10N2O2/c13-7-12-6-5-10(14)11-8-3-1-2-4-9(8)12/h1-4,7H,5-6H2,(H,11,14)

InChIKey

SCMUIHFWOAOWEK-UHFFFAOYSA-N

Compound name

2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.07423 Da
Monoisotopic Mass: 0.2
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]+	191.081506	136.5
[M+Na]+	213.063448	143.4
[M-H]-	189.066954	138.2
[M+NH4]+	208.108053	152.7
[M+K]+	229.037388	144.1
[M+H-H2O]+	173.071490	129.6
[M+HCOO]-	235.072431	154.0
[M+CH3COO]-	249.088081	181.7
[M+Na-2H]-	211.048896	143.2
[M]+	190.07368142	131.2
[M]-	190.07477858	131.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.