CID 8167210

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

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CC2=C(C=CC(=C2)N)NC(=O)C1
InChI
InChI=1S/C10H12N2O/c11-8-4-5-9-7(6-8)2-1-3-10(13)12-9/h4-6H,1-3,11H2,(H,12,13)
InChIKey
QEZZUFANNFFZIH-UHFFFAOYSA-N
Compound name
7-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

176.09496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.102236 134.5
[M+Na]+ 199.084178 140.3
[M-H]- 175.087684 137.1
[M+NH4]+ 194.128783 152.2
[M+K]+ 215.058118 141.1
[M+H-H2O]+ 159.092220 128.8
[M+HCOO]- 221.093161 153.3
[M+CH3COO]- 235.108811 146.2
[M+Na-2H]- 197.069626 140.6
[M]+ 176.09441142 126.5
[M]- 176.09550858 126.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe