CID 135547527

858956-25-9

Structural Information

Molecular Formula
C8H8N2O3
SMILES
C1CC1C2=NC(=CC(=O)N2)C(=O)O
InChI
InChI=1S/C8H8N2O3/c11-6-3-5(8(12)13)9-7(10-6)4-1-2-4/h3-4H,1-2H2,(H,12,13)(H,9,10,11)
InChIKey
IKDLJHIRCTZDND-UHFFFAOYSA-N
Compound name
2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

180.0535 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.060776 140.2
[M+Na]+ 203.042718 151.2
[M-H]- 179.046224 143.2
[M+NH4]+ 198.087323 151.6
[M+K]+ 219.016658 146.3
[M+H-H2O]+ 163.050760 133.1
[M+HCOO]- 225.051701 160.1
[M+CH3COO]- 239.067351 178.4
[M+Na-2H]- 201.028166 145.3
[M]+ 180.05295142 141.2
[M]- 180.05404858 141.2
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

patents stripe