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]+ 204.138286 146.7
[M+Na]+ 226.120228 152.4
[M-H]- 202.123734 150.0
[M+NH4]+ 221.164833 163.6
[M+K]+ 242.094168 148.3
[M+H-H2O]+ 186.128270 139.3
[M+HCOO]- 248.129211 164.7
[M+CH3COO]- 262.144861 183.5
[M+Na-2H]- 224.105676 150.5
[M]+ 203.13046142 141.3
[M]- 203.13155858 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.