CID 10725983

22246-81-7

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

C1CC2=C(C=CC(=C2)O)C(=O)NC1

InChI

InChI=1S/C10H11NO2/c12-8-3-4-9-7(6-8)2-1-5-11-10(9)13/h3-4,6,12H,1-2,5H2,(H,11,13)

InChIKey

HUOLEFRDUFKJJX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 177.07898 Da
Monoisotopic Mass: 1.2
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	133.8
[M+Na]+	200.06820	144.1
[M+NH4]+	195.11280	141.3
[M+K]+	216.04214	140.0
[M-H]-	176.07170	134.7
[M+Na-2H]-	198.05365	138.9
[M]+	177.07843	135.4
[M]-	177.07953	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe