CID 560965

1-benzyl-3-methylpiperidin-4-one

Structural Information

Molecular Formula
C13H17NO
SMILES
CC1CN(CCC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO/c1-11-9-14(8-7-13(11)15)10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKey
OVQAJYCAXPHYNV-UHFFFAOYSA-N
Compound name
1-benzyl-3-methylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1043
Patents

203.13101 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 146.1
[M+Na]+ 226.120228 152.2
[M-H]- 202.123734 150.8
[M+NH4]+ 221.164833 163.7
[M+K]+ 242.094168 149.0
[M+H-H2O]+ 186.128270 138.3
[M+HCOO]- 248.129211 165.6
[M+CH3COO]- 262.144861 186.1
[M+Na-2H]- 224.105676 150.3
[M]+ 203.13046142 142.5
[M]- 203.13155858 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe