CID 1486526

2-methyl-4-(pyridin-4-yl)pyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C11H9N3O2
SMILES
CC1=NC=C(C(=N1)C2=CC=NC=C2)C(=O)O
InChI
InChI=1S/C11H9N3O2/c1-7-13-6-9(11(15)16)10(14-7)8-2-4-12-5-3-8/h2-6H,1H3,(H,15,16)
InChIKey
YSCWZINYRXSUSN-UHFFFAOYSA-N
Compound name
2-methyl-4-pyridin-4-ylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.06947 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.076746 146.1
[M+Na]+ 238.058688 155.5
[M-H]- 214.062194 148.1
[M+NH4]+ 233.103293 159.8
[M+K]+ 254.032628 151.6
[M+H-H2O]+ 198.066730 137.1
[M+HCOO]- 260.067671 165.6
[M+CH3COO]- 274.083321 185.1
[M+Na-2H]- 236.044136 152.9
[M]+ 215.06892142 146.1
[M]- 215.07001858 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

No patent data available for this compound.