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]+ 209.09208 149.1
[M+Na]+ 231.07402 161.5
[M-H]- 207.07752 152.3
[M+NH4]+ 226.11862 160.0
[M+K]+ 247.04796 154.9
[M+H-H2O]+ 191.08206 142.0
[M+HCOO]- 253.08300 169.2
[M+CH3COO]- 267.09865 184.4
[M+Na-2H]- 229.05947 152.7
[M]+ 208.08425 151.4
[M]- 208.08535 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.