CID 14609264

5-methyl-5-phenylazepan-2-one

Structural Information

Molecular Formula
C13H17NO
SMILES
CC1(CCC(=O)NCC1)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO/c1-13(11-5-3-2-4-6-11)8-7-12(15)14-10-9-13/h2-6H,7-10H2,1H3,(H,14,15)
InChIKey
BNJMNDMSROAXRX-UHFFFAOYSA-N
Compound name
5-methyl-5-phenylazepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 145.2
[M+Na]+ 226.12023 155.7
[M+NH4]+ 221.16483 154.2
[M+K]+ 242.09417 148.6
[M-H]- 202.12373 148.2
[M+Na-2H]- 224.10568 153.7
[M]+ 203.13046 147.6
[M]- 203.13156 147.6
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

No patent data available for this compound.