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]+ 202.04585 134.7
[M+Na]+ 224.02779 144.1
[M-H]- 200.03129 134.2
[M+NH4]+ 219.07239 149.3
[M+K]+ 240.00173 137.3
[M+H-H2O]+ 184.03583 132.6
[M+HCOO]- 246.03677 156.7
[M+CH3COO]- 260.05242 171.5
[M+Na-2H]- 222.01324 143.1
[M]+ 201.03802 133.4
[M]- 201.03912 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.