CID 1514350

1-benzylazepan-4-one

Structural Information

Molecular Formula
C13H17NO
SMILES
C1CC(=O)CCN(C1)CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO/c15-13-7-4-9-14(10-8-13)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2
InChIKey
RRVIUDRKTCAHQZ-UHFFFAOYSA-N
Compound name
1-benzylazepan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
Patents

203.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 146.7
[M+Na]+ 226.12023 157.6
[M+NH4]+ 221.16483 154.8
[M+K]+ 242.09417 151.7
[M-H]- 202.12373 150.2
[M+Na-2H]- 224.10568 154.3
[M]+ 203.13046 149.3
[M]- 203.13156 149.3
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