CID 169369

31822-29-4

Structural Information

Molecular Formula
C7H8N2O5
SMILES
C1=C(NC(=O)N(C1=O)CCO)C(=O)O
InChI
InChI=1S/C7H8N2O5/c10-2-1-9-5(11)3-4(6(12)13)8-7(9)14/h3,10H,1-2H2,(H,8,14)(H,12,13)
InChIKey
JUYJMQNDFCMXIL-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

200.04332 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.050596 136.9
[M+Na]+ 223.032538 146.8
[M-H]- 199.036044 134.8
[M+NH4]+ 218.077143 151.6
[M+K]+ 239.006478 143.8
[M+H-H2O]+ 183.040580 130.5
[M+HCOO]- 245.041521 155.5
[M+CH3COO]- 259.057171 175.9
[M+Na-2H]- 221.017986 141.3
[M]+ 200.04277142 137.1
[M]- 200.04386858 137.1
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

patents stripe