CID 515084

Zinc03600460

Structural Information

Molecular Formula
C10H13N3O7
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O[N+](=O)[O-]
InChI
InChI=1S/C10H13N3O7/c1-5-3-12(10(16)11-9(5)15)8-2-6(20-13(17)18)7(4-14)19-8/h3,6-8,14H,2,4H2,1H3,(H,11,15,16)
InChIKey
IETUTDWZXUFCPZ-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.07535 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08263 157.2
[M+Na]+ 310.06457 164.9
[M-H]- 286.06807 160.5
[M+NH4]+ 305.10917 168.5
[M+K]+ 326.03851 159.2
[M+H-H2O]+ 270.07261 154.3
[M+HCOO]- 332.07355 176.4
[M+CH3COO]- 346.08920 187.6
[M+Na-2H]- 308.05002 162.1
[M]+ 287.07480 156.7
[M]- 287.07590 156.7
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.