CID 4434433

86499-35-6

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CC2=CC=CC=C2NC(=O)C1N
InChI
InChI=1S/C10H12N2O/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6,11H2,(H,12,13)
InChIKey
AUAKXRGQXZRTQC-UHFFFAOYSA-N
Compound name
3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

356
Patents

176.09496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 134.9
[M+Na]+ 199.08418 144.6
[M+NH4]+ 194.12878 142.5
[M+K]+ 215.05812 140.3
[M-H]- 175.08768 136.6
[M+Na-2H]- 197.06963 140.2
[M]+ 176.09441 136.5
[M]- 176.09551 136.5
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