CID 46478

64038-02-4

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC1CCCCN1CCCOC(=O)C2=CN=CC=C2
InChI
InChI=1S/C15H22N2O2/c1-13-6-2-3-9-17(13)10-5-11-19-15(18)14-7-4-8-16-12-14/h4,7-8,12-13H,2-3,5-6,9-11H2,1H3
InChIKey
UYOCGYKHIPHFBD-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 163.5
[M+Na]+ 285.15734 167.5
[M-H]- 261.16084 166.0
[M+NH4]+ 280.20194 176.9
[M+K]+ 301.13128 164.6
[M+H-H2O]+ 245.16538 153.9
[M+HCOO]- 307.16632 180.2
[M+CH3COO]- 321.18197 195.9
[M+Na-2H]- 283.14279 166.2
[M]+ 262.16757 161.4
[M]- 262.16867 161.4
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.