CID 103442

Potassium 1,2,3,6-tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylate

Structural Information

Molecular Formula
C5H3N3O6
SMILES
C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C5H3N3O6/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3/h(H,10,11)(H2,6,7,9,12)
InChIKey
OPGJGRWULGFTOS-UHFFFAOYSA-N
Compound name
5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

296
Patents

201.00218 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.00946 131.0
[M+Na]+ 223.99140 140.3
[M-H]- 199.99490 129.4
[M+NH4]+ 219.03600 144.6
[M+K]+ 239.96534 133.3
[M+H-H2O]+ 183.99944 129.3
[M+HCOO]- 246.00038 151.3
[M+CH3COO]- 260.01603 168.1
[M+Na-2H]- 221.97685 138.6
[M]+ 201.00163 127.5
[M]- 201.00273 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe