CID 2833079

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

Structural Information

Molecular Formula
C10H11NO
SMILES
C1CC(=O)NCC2=CC=CC=C21
InChI
InChI=1S/C10H11NO/c12-10-6-5-8-3-1-2-4-9(8)7-11-10/h1-4H,5-7H2,(H,11,12)
InChIKey
SRQMOHGEWMZUOI-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrahydro-2-benzazepin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

125
Patents

161.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 129.5
[M+Na]+ 184.07328 135.3
[M-H]- 160.07678 132.3
[M+NH4]+ 179.11788 148.1
[M+K]+ 200.04722 135.9
[M+H-H2O]+ 144.08132 124.3
[M+HCOO]- 206.08226 148.0
[M+CH3COO]- 220.09791 141.7
[M+Na-2H]- 182.05873 137.1
[M]+ 161.08351 122.7
[M]- 161.08461 122.7
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