CID 251119

5-aminouracil-6-sulfonic acid

Structural Information

Molecular Formula
C4H5N3O5S
SMILES
C1(=C(NC(=O)NC1=O)S(=O)(=O)O)N
InChI
InChI=1S/C4H5N3O5S/c5-1-2(8)6-4(9)7-3(1)13(10,11)12/h5H2,(H,10,11,12)(H2,6,7,8,9)
InChIKey
KFUWLQOOBWAQPL-UHFFFAOYSA-N
Compound name
5-amino-2,4-dioxo-1H-pyrimidine-6-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.995 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.00228 137.7
[M+Na]+ 229.98422 148.4
[M-H]- 205.98772 135.5
[M+NH4]+ 225.02882 151.9
[M+K]+ 245.95816 143.5
[M+H-H2O]+ 189.99226 132.0
[M+HCOO]- 251.99320 151.8
[M+CH3COO]- 266.00885 174.4
[M+Na-2H]- 227.96967 141.9
[M]+ 206.99445 136.3
[M]- 206.99555 136.3
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

No patent data available for this compound.