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]+ 199.071336 139.0
[M+Na]+ 221.053278 147.6
[M-H]- 197.056784 137.9
[M+NH4]+ 216.097883 154.3
[M+K]+ 237.027218 145.8
[M+H-H2O]+ 181.061320 132.3
[M+HCOO]- 243.062261 157.5
[M+CH3COO]- 257.077911 179.4
[M+Na-2H]- 219.038726 143.0
[M]+ 198.06351142 139.7
[M]- 198.06460858 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.