CID 362786

Nsc627063

Structural Information

Molecular Formula
C8H10N2O4
SMILES
CC1=C(N(C(=O)N(C1=O)C)C)C(=O)O
InChI
InChI=1S/C8H10N2O4/c1-4-5(7(12)13)9(2)8(14)10(3)6(4)11/h1-3H3,(H,12,13)
InChIKey
YRHDQHSHFNPAPR-UHFFFAOYSA-N
Compound name
1,3,5-trimethyl-2,6-dioxopyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.06406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 135.3
[M+Na]+ 221.05328 147.8
[M-H]- 197.05678 136.7
[M+NH4]+ 216.09788 152.4
[M+K]+ 237.02722 145.8
[M+H-H2O]+ 181.06132 129.3
[M+HCOO]- 243.06226 156.5
[M+CH3COO]- 257.07791 184.0
[M+Na-2H]- 219.03873 139.0
[M]+ 198.06351 139.1
[M]- 198.06461 139.1
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.