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]+ 197.05568 143.0
[M+Na]+ 219.03762 154.9
[M-H]- 195.04112 146.3
[M+NH4]+ 214.08222 153.9
[M+K]+ 235.01156 149.7
[M+H-H2O]+ 179.04566 136.0
[M+HCOO]- 241.04660 163.1
[M+CH3COO]- 255.06225 181.0
[M+Na-2H]- 217.02307 147.3
[M]+ 196.04785 145.2
[M]- 196.04895 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.