CID 9942290

74887-79-9

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CC2=C(C=CC=C2O)NC(=O)C1
InChI
InChI=1S/C10H11NO2/c12-9-5-2-4-8-7(9)3-1-6-10(13)11-8/h2,4-5,12H,1,3,6H2,(H,11,13)
InChIKey
FBYNTMTYLLVDIG-UHFFFAOYSA-N
Compound name
6-hydroxy-1,3,4,5-tetrahydro-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

177.07898 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe