CID 4615168

22246-76-0

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

C1CC2=C(C=C(C=C2)N)NC(=O)C1

InChI

InChI=1S/C10H12N2O/c11-8-5-4-7-2-1-3-10(13)12-9(7)6-8/h4-6H,1-3,11H2,(H,12,13)

InChIKey

XRJMPABWIZHNQA-UHFFFAOYSA-N

Compound name

8-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 176.09496 Da
Monoisotopic Mass: 0.7
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]+	177.10224	134.9
[M+Na]+	199.08418	144.6
[M+NH4]+	194.12878	142.5
[M+K]+	215.05812	140.3
[M-H]-	175.08768	136.6
[M+Na-2H]-	197.06963	140.2
[M]+	176.09441	136.5
[M]-	176.09551	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe