CID 60726536

Methyl 1-[(pyridin-3-yl)methyl]piperidine-4-carboxylate

Structural Information

Molecular Formula
C13H18N2O2
SMILES
COC(=O)C1CCN(CC1)CC2=CN=CC=C2
InChI
InChI=1S/C13H18N2O2/c1-17-13(16)12-4-7-15(8-5-12)10-11-3-2-6-14-9-11/h2-3,6,9,12H,4-5,7-8,10H2,1H3
InChIKey
JGSXGVYEFXXESV-UHFFFAOYSA-N
Compound name
methyl 1-(pyridin-3-ylmethyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 154.5
[M+Na]+ 257.126048 159.4
[M-H]- 233.129554 157.4
[M+NH4]+ 252.170653 169.0
[M+K]+ 273.099988 157.0
[M+H-H2O]+ 217.134090 145.3
[M+HCOO]- 279.135031 171.9
[M+CH3COO]- 293.150681 189.9
[M+Na-2H]- 255.111496 158.2
[M]+ 234.13628142 151.8
[M]- 234.13737858 151.8
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.