CID 54283900

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

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CC2=CC=CC=C2NC(=O)C1O
InChI
InChI=1S/C10H11NO2/c12-9-6-5-7-3-1-2-4-8(7)11-10(9)13/h1-4,9,12H,5-6H2,(H,11,13)
InChIKey
RSSWVPLBWNPQEQ-UHFFFAOYSA-N
Compound name
3-hydroxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

No patent data available for this compound.