CID 495405

Nsc653488

Structural Information

Molecular Formula
C10H14N2O5
SMILES
CC1=CN(C(=O)NC1=O)C[C@H]2OC[C@H](O2)CO
InChI
InChI=1S/C10H14N2O5/c1-6-2-12(10(15)11-9(6)14)3-8-16-5-7(4-13)17-8/h2,7-8,13H,3-5H2,1H3,(H,11,14,15)/t7-,8+/m1/s1
InChIKey
YQOOFUNBDHKNNV-SFYZADRCSA-N
Compound name
1-[[(2S,4R)-4-(hydroxymethyl)-1,3-dioxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.09027 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.097546 150.6
[M+Na]+ 265.079488 159.9
[M-H]- 241.082994 154.0
[M+NH4]+ 260.124093 163.4
[M+K]+ 281.053428 158.7
[M+H-H2O]+ 225.087530 143.5
[M+HCOO]- 287.088471 167.9
[M+CH3COO]- 301.104121 185.4
[M+Na-2H]- 263.064936 153.8
[M]+ 242.08972142 152.1
[M]- 242.09081858 152.1
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.