CID 22451901

37526-68-4

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CNC(=O)CC2=C1C=CC(=C2)O
InChI
InChI=1S/C10H11NO2/c12-9-2-1-7-3-4-11-10(13)6-8(7)5-9/h1-2,5,12H,3-4,6H2,(H,11,13)
InChIKey
LFDYHVHOUPBVDP-UHFFFAOYSA-N
Compound name
7-hydroxy-1,2,3,5-tetrahydro-3-benzazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

177.07898 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 133.3
[M+Na]+ 200.068198 139.4
[M-H]- 176.071704 135.1
[M+NH4]+ 195.112803 150.8
[M+K]+ 216.042138 140.1
[M+H-H2O]+ 160.076240 128.2
[M+HCOO]- 222.077181 150.4
[M+CH3COO]- 236.092831 145.0
[M+Na-2H]- 198.053646 139.6
[M]+ 177.07843142 126.4
[M]- 177.07952858 126.4
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

patents stripe