CID 248580

4424-80-0

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C1CC2=CC=CC=C2NC(=O)C1

InChI

InChI=1S/C10H11NO/c12-10-7-3-5-8-4-1-2-6-9(8)11-10/h1-2,4,6H,3,5,7H2,(H,11,12)

InChIKey

HRVRAYIYXRVAPR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1142
Patents: 161.08406 Da
Monoisotopic Mass: 1.4
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]+	162.09134	131.0
[M+Na]+	184.07328	141.8
[M+NH4]+	179.11788	139.3
[M+K]+	200.04722	136.8
[M-H]-	160.07678	132.7
[M+Na-2H]-	182.05873	137.3
[M]+	161.08351	132.9
[M]-	161.08461	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe