CID 434564

1-benzyl-6-methylpiperidin-3-one

Structural Information

Molecular Formula
C13H17NO
SMILES
CC1CCC(=O)CN1CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO/c1-11-7-8-13(15)10-14(11)9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKey
KZOQTVBEJPFESD-UHFFFAOYSA-N
Compound name
1-benzyl-6-methylpiperidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

203.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 146.1
[M+Na]+ 226.12023 152.2
[M-H]- 202.12373 150.8
[M+NH4]+ 221.16483 163.7
[M+K]+ 242.09417 149.0
[M+H-H2O]+ 186.12827 138.3
[M+HCOO]- 248.12921 165.6
[M+CH3COO]- 262.14486 186.1
[M+Na-2H]- 224.10568 150.3
[M]+ 203.13046 142.5
[M]- 203.13156 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

No literature data available for this compound.

Patent stripe

patents stripe