CID 196507

5-cmodu

Structural Information

Molecular Formula
C11H13N3O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)OCC#N)CO)O
InChI
InChI=1S/C11H13N3O6/c12-1-2-19-7-4-14(11(18)13-10(7)17)9-3-6(16)8(5-15)20-9/h4,6,8-9,15-16H,2-3,5H2,(H,13,17,18)/t6-,8+,9+/m0/s1
InChIKey
CIZYOMOBTNYPRA-NBEYISGCSA-N
Compound name
2-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.08044 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.08772 155.8
[M+Na]+ 306.06966 165.8
[M-H]- 282.07316 156.1
[M+NH4]+ 301.11426 165.9
[M+K]+ 322.04360 163.1
[M+H-H2O]+ 266.07770 141.6
[M+HCOO]- 328.07864 169.1
[M+CH3COO]- 342.09429 202.1
[M+Na-2H]- 304.05511 157.0
[M]+ 283.07989 151.4
[M]- 283.08099 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.