CID 146049800

2413866-93-8

Structural Information

Molecular Formula
C8H10N2O4
SMILES
CC(C)OC1=NC(=CC(=O)N1)C(=O)O
InChI
InChI=1S/C8H10N2O4/c1-4(2)14-8-9-5(7(12)13)3-6(11)10-8/h3-4H,1-2H3,(H,12,13)(H,9,10,11)
InChIKey
KMRNEHWJJDAOCU-UHFFFAOYSA-N
Compound name
6-oxo-2-propan-2-yloxy-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06406 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 139.0
[M+Na]+ 221.05328 147.6
[M-H]- 197.05678 137.9
[M+NH4]+ 216.09788 154.3
[M+K]+ 237.02722 145.8
[M+H-H2O]+ 181.06132 132.3
[M+HCOO]- 243.06226 157.5
[M+CH3COO]- 257.07791 179.4
[M+Na-2H]- 219.03873 143.0
[M]+ 198.06351 139.7
[M]- 198.06461 139.7
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.