CID 2736210

2,6-dimethoxypyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O4
SMILES
COC1=NC(=NC(=C1)C(=O)O)OC
InChI
InChI=1S/C7H8N2O4/c1-12-5-3-4(6(10)11)8-7(9-5)13-2/h3H,1-2H3,(H,10,11)
InChIKey
APCAETLUMQRTDK-UHFFFAOYSA-N
Compound name
2,6-dimethoxypyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

76
Patents

184.0484 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.055676 134.5
[M+Na]+ 207.037618 144.0
[M-H]- 183.041124 134.9
[M+NH4]+ 202.082223 151.2
[M+K]+ 223.011558 143.4
[M+H-H2O]+ 167.045660 127.6
[M+HCOO]- 229.046601 155.7
[M+CH3COO]- 243.062251 178.6
[M+Na-2H]- 205.023066 140.8
[M]+ 184.04785142 138.1
[M]- 184.04894858 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe