CID 145875161

2137753-50-3

Structural Information

Molecular Formula
C12H8N2O4
SMILES
C1=CC(=CC=C1C2=CN=C(N=C2)C(=O)O)C(=O)O
InChI
InChI=1S/C12H8N2O4/c15-11(16)8-3-1-7(2-4-8)9-5-13-10(12(17)18)14-6-9/h1-6H,(H,15,16)(H,17,18)
InChIKey
CRNBWQQLLWYUSG-UHFFFAOYSA-N
Compound name
5-(4-carboxyphenyl)pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0484 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.055676 150.6
[M+Na]+ 267.037618 158.7
[M-H]- 243.041124 152.6
[M+NH4]+ 262.082223 163.4
[M+K]+ 283.011558 155.3
[M+H-H2O]+ 227.045660 142.3
[M+HCOO]- 289.046601 169.2
[M+CH3COO]- 303.062251 187.3
[M+Na-2H]- 265.023066 155.2
[M]+ 244.04785142 150.1
[M]- 244.04894858 150.1
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.