CID 381082

Nsc667234

Structural Information

Molecular Formula
C6H4N2O5
SMILES
C(=O)C1=C(NC(=O)NC1=O)C(=O)O
InChI
InChI=1S/C6H4N2O5/c9-1-2-3(5(11)12)7-6(13)8-4(2)10/h1H,(H,11,12)(H2,7,8,10,13)
InChIKey
HHVNSJSWSPVZPB-UHFFFAOYSA-N
Compound name
5-formyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.01202 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01930 131.1
[M+Na]+ 207.00124 141.7
[M-H]- 183.00474 129.2
[M+NH4]+ 202.04584 146.3
[M+K]+ 222.97518 138.3
[M+H-H2O]+ 167.00928 125.0
[M+HCOO]- 229.01022 150.2
[M+CH3COO]- 243.02587 172.1
[M+Na-2H]- 204.98669 136.0
[M]+ 184.01147 130.2
[M]- 184.01257 130.2
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.