CID 11240655

6729-50-6

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C1CC2=CC=CC=C2C(=O)NC1

InChI

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

InChIKey

WWQPGNZHJFFKRW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 299
Patents: 161.08406 Da
Monoisotopic Mass: 1.6
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