CID 72451604

5-benzyl-3-methylpiperidin-2-one

Structural Information

Molecular Formula
C13H17NO
SMILES
CC1CC(CNC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO/c1-10-7-12(9-14-13(10)15)8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,14,15)
InChIKey
VJGFPCSAWUVUSX-UHFFFAOYSA-N
Compound name
5-benzyl-3-methylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 146.7
[M+Na]+ 226.12023 152.4
[M-H]- 202.12373 150.0
[M+NH4]+ 221.16483 163.6
[M+K]+ 242.09417 148.3
[M+H-H2O]+ 186.12827 139.3
[M+HCOO]- 248.12921 164.7
[M+CH3COO]- 262.14486 183.5
[M+Na-2H]- 224.10568 150.5
[M]+ 203.13046 141.3
[M]- 203.13156 141.3
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

No patent data available for this compound.