CID 294788

1,2,3,4-tetrahydro-benzo[b]azepin-5-one

Structural Information

Molecular Formula
C10H11NO
SMILES
C1CC(=O)C2=CC=CC=C2NC1
InChI
InChI=1S/C10H11NO/c12-10-6-3-7-11-9-5-2-1-4-8(9)10/h1-2,4-5,11H,3,6-7H2
InChIKey
NKRKBYFBKLDCFB-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydro-1-benzazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

161.08406 Da
Monoisotopic Mass

1.7
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

No literature data available for this compound.

Patent stripe

patents stripe