CID 9964243

7-hydroxy-2,3,4,5-tetrahydro-1h-1-benzazepin-2-one

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

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

InChI

InChI=1S/C10H11NO2/c12-8-4-5-9-7(6-8)2-1-3-10(13)11-9/h4-6,12H,1-3H2,(H,11,13)

InChIKey

PRSVRYCHQAVAJM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 177.07898 Da
Monoisotopic Mass: 1.1
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]+	178.08626	133.3
[M+Na]+	200.06820	139.4
[M-H]-	176.07170	135.1
[M+NH4]+	195.11280	150.8
[M+K]+	216.04214	140.1
[M+H-H2O]+	160.07624	128.2
[M+HCOO]-	222.07718	150.4
[M+CH3COO]-	236.09283	145.0
[M+Na-2H]-	198.05365	139.6
[M]+	177.07843	126.4
[M]-	177.07953	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe