CID 49652006

1219561-35-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0535 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06078 140.2
[M+Na]+ 203.04272 151.2
[M-H]- 179.04622 143.2
[M+NH4]+ 198.08732 151.6
[M+K]+ 219.01666 146.3
[M+H-H2O]+ 163.05076 133.1
[M+HCOO]- 225.05170 160.1
[M+CH3COO]- 239.06735 178.4
[M+Na-2H]- 201.02817 145.3
[M]+ 180.05295 141.2
[M]- 180.05405 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

No patent data available for this compound.