CID 75569

Methyl picolinate

Structural Information

Molecular Formula
C7H7NO2
SMILES
COC(=O)C1=CC=CC=N1
InChI
InChI=1S/C7H7NO2/c1-10-7(9)6-4-2-3-5-8-6/h2-5H,1H3
InChIKey
NMMIHXMBOZYNET-UHFFFAOYSA-N
Compound name
methyl pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3267
Patents

137.04768 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 125.6
[M+Na]+ 160.03690 138.5
[M+NH4]+ 155.08150 133.8
[M+K]+ 176.01084 132.9
[M-H]- 136.04040 126.7
[M+Na-2H]- 158.02235 133.1
[M]+ 137.04713 127.6
[M]- 137.04823 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe