CID 3046834

Piperidine, 1-(3-methyl-1-oxobutyl)-2-(3-pyridinyl)-, (s)-

Structural Information

Molecular Formula
C15H22N2O
SMILES
CC(C)CC(=O)N1CCCC[C@H]1C2=CN=CC=C2
InChI
InChI=1S/C15H22N2O/c1-12(2)10-15(18)17-9-4-3-7-14(17)13-6-5-8-16-11-13/h5-6,8,11-12,14H,3-4,7,9-10H2,1-2H3/t14-/m0/s1
InChIKey
OTPMANHLIQOQCY-AWEZNQCLSA-N
Compound name
3-methyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 160.3
[M+Na]+ 269.16244 164.1
[M-H]- 245.16594 162.9
[M+NH4]+ 264.20704 174.3
[M+K]+ 285.13638 161.1
[M+H-H2O]+ 229.17048 151.1
[M+HCOO]- 291.17142 175.8
[M+CH3COO]- 305.18707 194.8
[M+Na-2H]- 267.14789 161.8
[M]+ 246.17267 156.2
[M]- 246.17377 156.2
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.