CID 3046835

Piperidine, 1-(1-oxohexyl)-2-(3-pyridinyl)-, (s)-

Structural Information

Molecular Formula
C16H24N2O
SMILES
CCCCCC(=O)N1CCCC[C@H]1C2=CN=CC=C2
InChI
InChI=1S/C16H24N2O/c1-2-3-4-10-16(19)18-12-6-5-9-15(18)14-8-7-11-17-13-14/h7-8,11,13,15H,2-6,9-10,12H2,1H3/t15-/m0/s1
InChIKey
YGDMAPCANJXNPK-HNNXBMFYSA-N
Compound name
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]hexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19615 165.0
[M+Na]+ 283.17809 168.6
[M-H]- 259.18159 167.3
[M+NH4]+ 278.22269 178.5
[M+K]+ 299.15203 164.9
[M+H-H2O]+ 243.18613 155.4
[M+HCOO]- 305.18707 181.1
[M+CH3COO]- 319.20272 196.9
[M+Na-2H]- 281.16354 167.0
[M]+ 260.18832 161.8
[M]- 260.18942 161.8
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.