CID 11535859

1-(2-hydroxypropyl)-5-nitro-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C7H9N3O5
SMILES
CC(CN1C=C(C(=O)NC1=O)[N+](=O)[O-])O
InChI
InChI=1S/C7H9N3O5/c1-4(11)2-9-3-5(10(14)15)6(12)8-7(9)13/h3-4,11H,2H2,1H3,(H,8,12,13)
InChIKey
DFZLLSMVIXMPLE-UHFFFAOYSA-N
Compound name
1-(2-hydroxypropyl)-5-nitropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.05421 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06149 138.7
[M+Na]+ 238.04343 147.5
[M-H]- 214.04693 138.2
[M+NH4]+ 233.08803 152.7
[M+K]+ 254.01737 141.0
[M+H-H2O]+ 198.05147 136.7
[M+HCOO]- 260.05241 159.5
[M+CH3COO]- 274.06806 175.3
[M+Na-2H]- 236.02888 145.6
[M]+ 215.05366 137.2
[M]- 215.05476 137.2
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.