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

270
Patents

161.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.091336 129.5
[M+Na]+ 184.073278 135.3
[M-H]- 160.076784 132.3
[M+NH4]+ 179.117883 148.1
[M+K]+ 200.047218 135.9
[M+H-H2O]+ 144.081320 124.3
[M+HCOO]- 206.082261 148.0
[M+CH3COO]- 220.097911 141.7
[M+Na-2H]- 182.058726 137.1
[M]+ 161.08351142 122.7
[M]- 161.08460858 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