CID 99346

2-picoline, 5-(3-piperidino-1-propynyl)-

Structural Information

Molecular Formula
C14H18N2
SMILES
CC1=NC=C(C=C1)C#CCN2CCCCC2
InChI
InChI=1S/C14H18N2/c1-13-7-8-14(12-15-13)6-5-11-16-9-3-2-4-10-16/h7-8,12H,2-4,9-11H2,1H3
InChIKey
DQTWVOSUHAMERO-UHFFFAOYSA-N
Compound name
2-methyl-5-(3-piperidin-1-ylprop-1-ynyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.147 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.154276 148.5
[M+Na]+ 237.136218 156.0
[M-H]- 213.139724 148.9
[M+NH4]+ 232.180823 162.1
[M+K]+ 253.110158 149.9
[M+H-H2O]+ 197.144260 133.5
[M+HCOO]- 259.145201 160.6
[M+CH3COO]- 273.160851 157.5
[M+Na-2H]- 235.121666 152.0
[M]+ 214.14645142 138.7
[M]- 214.14754858 138.7
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.