CID 55255033

773098-78-5

Structural Information

Molecular Formula
C8H8N2O4
SMILES
C1CC1N2C=C(C(=O)NC2=O)C(=O)O
InChI
InChI=1S/C8H8N2O4/c11-6-5(7(12)13)3-10(4-1-2-4)8(14)9-6/h3-4H,1-2H2,(H,12,13)(H,9,11,14)
InChIKey
HPWNKQNZJDYTMW-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0484 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.055676 143.0
[M+Na]+ 219.037618 154.9
[M-H]- 195.041124 146.3
[M+NH4]+ 214.082223 153.9
[M+K]+ 235.011558 149.7
[M+H-H2O]+ 179.045660 136.0
[M+HCOO]- 241.046601 163.1
[M+CH3COO]- 255.062251 181.0
[M+Na-2H]- 217.023066 147.3
[M]+ 196.04785142 145.2
[M]- 196.04894858 145.2
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

No patent data available for this compound.