CID 135741812

2416243-11-1

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CCC1=NC(=CC(=O)N1)C(=O)O
InChI
InChI=1S/C7H8N2O3/c1-2-5-8-4(7(11)12)3-6(10)9-5/h3H,2H2,1H3,(H,11,12)(H,8,9,10)
InChIKey
BXQWLKTVPZPPAX-UHFFFAOYSA-N
Compound name
2-ethyl-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

168.0535 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 132.0
[M+Na]+ 191.042718 141.5
[M-H]- 167.046224 131.0
[M+NH4]+ 186.087323 148.7
[M+K]+ 207.016658 138.8
[M+H-H2O]+ 151.050760 125.6
[M+HCOO]- 213.051701 151.6
[M+CH3COO]- 227.067351 173.2
[M+Na-2H]- 189.028166 137.6
[M]+ 168.05295142 131.5
[M]- 168.05404858 131.5
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