CID 496870

Nsc700839

Structural Information

Molecular Formula
C10H13N3O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)C=NO
InChI
InChI=1S/C10H13N3O4/c1-6-5-13(10(15)12-9(6)14)8-3-2-7(17-8)4-11-16/h4-5,7-8,16H,2-3H2,1H3,(H,12,14,15)/t7-,8+/m0/s1
InChIKey
XORFVXOEVUYCGG-JGVFFNPUSA-N
Compound name
1-[(2R,5S)-5-(hydroxyiminomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0906 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.097876 149.9
[M+Na]+ 262.079818 159.0
[M-H]- 238.083324 154.1
[M+NH4]+ 257.124423 164.6
[M+K]+ 278.053758 156.7
[M+H-H2O]+ 222.087860 142.2
[M+HCOO]- 284.088801 170.7
[M+CH3COO]- 298.104451 188.9
[M+Na-2H]- 260.065266 153.3
[M]+ 239.09005142 149.6
[M]- 239.09114858 149.6
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.