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]+ 240.09788 149.9
[M+Na]+ 262.07982 159.0
[M-H]- 238.08332 154.1
[M+NH4]+ 257.12442 164.6
[M+K]+ 278.05376 156.7
[M+H-H2O]+ 222.08786 142.2
[M+HCOO]- 284.08880 170.7
[M+CH3COO]- 298.10445 188.9
[M+Na-2H]- 260.06527 153.3
[M]+ 239.09005 149.6
[M]- 239.09115 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.