CID 12084828

1-benzyl-4-methylpiperidin-3-one

Structural Information

Molecular Formula
C13H17NO
SMILES
CC1CCN(CC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO/c1-11-7-8-14(10-13(11)15)9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKey
BSBVJNUGGBQEPO-UHFFFAOYSA-N
Compound name
1-benzyl-4-methylpiperidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

203.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 147.2
[M+Na]+ 226.12023 160.8
[M+NH4]+ 221.16483 156.3
[M+K]+ 242.09417 152.9
[M-H]- 202.12373 151.4
[M+Na-2H]- 224.10568 155.1
[M]+ 203.13046 150.3
[M]- 203.13156 150.3
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