CID 13052842

4869-45-8

Structural Information

Molecular Formula
C7H8N2O4
SMILES
CN1C=C(C(=O)N(C1=O)C)C(=O)O
InChI
InChI=1S/C7H8N2O4/c1-8-3-4(6(11)12)5(10)9(2)7(8)13/h3H,1-2H3,(H,11,12)
InChIKey
OQOZKHDSUDJUDR-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2,4-dioxopyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

184.0484 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.05568 131.4
[M+Na]+ 207.03762 143.4
[M-H]- 183.04112 132.6
[M+NH4]+ 202.08222 148.7
[M+K]+ 223.01156 141.6
[M+H-H2O]+ 167.04566 125.3
[M+HCOO]- 229.04660 153.0
[M+CH3COO]- 243.06225 179.7
[M+Na-2H]- 205.02307 136.3
[M]+ 184.04785 134.4
[M]- 184.04895 134.4
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