CID 469805

(e)-1-(2-hydroxymethylcyclopropylidenemethyl)thymidine

Structural Information

Molecular Formula
C10H12N2O3
SMILES
CC1=CN(C(=O)NC1=O)C=C2C[C@H]2CO
InChI
InChI=1S/C10H12N2O3/c1-6-3-12(10(15)11-9(6)14)4-7-2-8(7)5-13/h3-4,8,13H,2,5H2,1H3,(H,11,14,15)/t8-/m0/s1
InChIKey
OMLRRFVCAPFHFE-QMMMGPOBSA-N
Compound name
1-[[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

208.0848 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.092076 149.1
[M+Na]+ 231.074018 161.5
[M-H]- 207.077524 152.3
[M+NH4]+ 226.118623 160.0
[M+K]+ 247.047958 154.9
[M+H-H2O]+ 191.082060 142.0
[M+HCOO]- 253.083001 169.2
[M+CH3COO]- 267.098651 184.4
[M+Na-2H]- 229.059466 152.7
[M]+ 208.08425142 151.4
[M]- 208.08534858 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.