CID 53396479

2-(pyrimidin-2-yl)pyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C9H6N4O2
SMILES
C1=CN=C(N=C1)C2=NC=C(C=N2)C(=O)O
InChI
InChI=1S/C9H6N4O2/c14-9(15)6-4-12-8(13-5-6)7-10-2-1-3-11-7/h1-5H,(H,14,15)
InChIKey
WULZRCCJSITGMR-UHFFFAOYSA-N
Compound name
2-pyrimidin-2-ylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

202.04907 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.056346 141.9
[M+Na]+ 225.038288 151.2
[M-H]- 201.041794 142.3
[M+NH4]+ 220.082893 154.3
[M+K]+ 241.012228 147.4
[M+H-H2O]+ 185.046330 132.3
[M+HCOO]- 247.047271 160.5
[M+CH3COO]- 261.062921 153.5
[M+Na-2H]- 223.023736 150.5
[M]+ 202.04852142 141.2
[M]- 202.04961858 141.2
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