CID 22451901

37526-68-4

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1CNC(=O)CC2=C1C=CC(=C2)O

InChI

InChI=1S/C10H11NO2/c12-9-2-1-7-3-4-11-10(13)6-8(7)5-9/h1-2,5,12H,3-4,6H2,(H,11,13)

InChIKey

LFDYHVHOUPBVDP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 177.07898 Da
Monoisotopic Mass: 0.8
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

No literature data available for this compound.

Patent stripe

patents stripe