CID 454120

Nsc639757

Structural Information

Molecular Formula
C11H14N2O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OC=O
InChI
InChI=1S/C11H14N2O6/c1-6-3-13(11(17)12-10(6)16)9-2-7(18-5-15)8(4-14)19-9/h3,5,7-9,14H,2,4H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1
InChIKey
JELNOTYNDKNDJX-DJLDLDEBSA-N
Compound name
[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.08517 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09245 154.9
[M+Na]+ 293.07439 164.5
[M-H]- 269.07789 158.0
[M+NH4]+ 288.11899 168.0
[M+K]+ 309.04833 162.5
[M+H-H2O]+ 253.08243 147.8
[M+HCOO]- 315.08337 173.2
[M+CH3COO]- 329.09902 191.0
[M+Na-2H]- 291.05984 156.6
[M]+ 270.08462 157.3
[M]- 270.08572 157.3
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.