CID 4422483

4,6-dimethoxypyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O4
SMILES
COC1=CC(=NC(=N1)C(=O)O)OC
InChI
InChI=1S/C7H8N2O4/c1-12-4-3-5(13-2)9-6(8-4)7(10)11/h3H,1-2H3,(H,10,11)
InChIKey
PRXXMEMJCXTHTP-UHFFFAOYSA-N
Compound name
4,6-dimethoxypyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

184.0484 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05568 134.5
[M+Na]+ 207.03762 144.0
[M-H]- 183.04112 134.9
[M+NH4]+ 202.08222 151.2
[M+K]+ 223.01156 143.4
[M+H-H2O]+ 167.04566 127.6
[M+HCOO]- 229.04660 155.7
[M+CH3COO]- 243.06225 178.6
[M+Na-2H]- 205.02307 140.8
[M]+ 184.04785 138.1
[M]- 184.04895 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

No literature data available for this compound.

Patent stripe

patents stripe