CID 67264720

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

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CC2=C(C=C(C=C2)N)C(=O)NC1
InChI
InChI=1S/C10H12N2O/c11-8-4-3-7-2-1-5-12-10(13)9(7)6-8/h3-4,6H,1-2,5,11H2,(H,12,13)
InChIKey
GTNSBFKKRPRPKU-UHFFFAOYSA-N
Compound name
8-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

176.09496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 134.5
[M+Na]+ 199.08418 140.3
[M-H]- 175.08768 137.1
[M+NH4]+ 194.12878 152.2
[M+K]+ 215.05812 141.1
[M+H-H2O]+ 159.09222 128.8
[M+HCOO]- 221.09316 153.3
[M+CH3COO]- 235.10881 146.2
[M+Na-2H]- 197.06963 140.6
[M]+ 176.09441 126.5
[M]- 176.09551 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