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]+ 215.15428 148.5
[M+Na]+ 237.13622 156.0
[M-H]- 213.13972 148.9
[M+NH4]+ 232.18082 162.1
[M+K]+ 253.11016 149.9
[M+H-H2O]+ 197.14426 133.5
[M+HCOO]- 259.14520 160.6
[M+CH3COO]- 273.16085 157.5
[M+Na-2H]- 235.12167 152.0
[M]+ 214.14645 138.7
[M]- 214.14755 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.