CID 58477946

Potassium 6-methyl-3-(pyrimidin-2-yl)pyridine-2-carboxylate

Structural Information

Molecular Formula
C11H9N3O2
SMILES
CC1=NC(=C(C=C1)C2=NC=CC=N2)C(=O)O
InChI
InChI=1S/C11H9N3O2/c1-7-3-4-8(9(14-7)11(15)16)10-12-5-2-6-13-10/h2-6H,1H3,(H,15,16)
InChIKey
YDJKIHIETNFDIH-UHFFFAOYSA-N
Compound name
6-methyl-3-pyrimidin-2-ylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

215.06947 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.07675 146.1
[M+Na]+ 238.05869 155.5
[M-H]- 214.06219 148.1
[M+NH4]+ 233.10329 159.8
[M+K]+ 254.03263 151.6
[M+H-H2O]+ 198.06673 137.1
[M+HCOO]- 260.06767 165.6
[M+CH3COO]- 274.08332 185.1
[M+Na-2H]- 236.04414 152.9
[M]+ 215.06892 146.1
[M]- 215.07002 146.1
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