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

13
Patents

202.04907 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05635 141.9
[M+Na]+ 225.03829 151.2
[M-H]- 201.04179 142.3
[M+NH4]+ 220.08289 154.3
[M+K]+ 241.01223 147.4
[M+H-H2O]+ 185.04633 132.3
[M+HCOO]- 247.04727 160.5
[M+CH3COO]- 261.06292 153.5
[M+Na-2H]- 223.02374 150.5
[M]+ 202.04852 141.2
[M]- 202.04962 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