CID 11615373

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

Structural Information

Molecular Formula
C6H7N3O5
SMILES
C1=C(C(=O)NC(=O)N1CCO)[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O5/c10-2-1-8-3-4(9(13)14)5(11)7-6(8)12/h3,10H,1-2H2,(H,7,11,12)
InChIKey
QQKRHWSJVOEMNX-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-5-nitropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.03857 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.045846 134.7
[M+Na]+ 224.027788 144.1
[M-H]- 200.031294 134.2
[M+NH4]+ 219.072393 149.3
[M+K]+ 240.001728 137.3
[M+H-H2O]+ 184.035830 132.6
[M+HCOO]- 246.036771 156.7
[M+CH3COO]- 260.052421 171.5
[M+Na-2H]- 222.013236 143.1
[M]+ 201.03802142 133.4
[M]- 201.03911858 133.4
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.