CID 55267948

Methyl 6-(cyanomethyl)pyridine-2-carboxylate

Structural Information

Molecular Formula
C9H8N2O2
SMILES
COC(=O)C1=CC=CC(=N1)CC#N
InChI
InChI=1S/C9H8N2O2/c1-13-9(12)8-4-2-3-7(11-8)5-6-10/h2-4H,5H2,1H3
InChIKey
ARYMUMVKIDLHSW-UHFFFAOYSA-N
Compound name
methyl 6-(cyanomethyl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

176.05858 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.06586 137.8
[M+Na]+ 199.04780 149.7
[M+NH4]+ 194.09240 141.8
[M+K]+ 215.02174 141.1
[M-H]- 175.05130 131.4
[M+Na-2H]- 197.03325 141.6
[M]+ 176.05803 136.7
[M]- 176.05913 136.7
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

patents stripe