CID 11850690

(+/-)-(2r,4s)-1-(hydroxymethyl-4-vinyl-tetrahydro-furan-2yl) thymine

Structural Information

Molecular Formula
C12H16N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@](CO2)(CO)C=C
InChI
InChI=1S/C12H16N2O4/c1-3-12(6-15)4-9(18-7-12)14-5-8(2)10(16)13-11(14)17/h3,5,9,15H,1,4,6-7H2,2H3,(H,13,16,17)/t9-,12-/m1/s1
InChIKey
MSZPUADKNLDFOH-BXKDBHETSA-N
Compound name
1-[(2R,4S)-4-ethenyl-4-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.11101 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.118286 153.1
[M+Na]+ 275.100228 162.8
[M-H]- 251.103734 155.9
[M+NH4]+ 270.144833 169.0
[M+K]+ 291.074168 159.6
[M+H-H2O]+ 235.108270 146.7
[M+HCOO]- 297.109211 170.8
[M+CH3COO]- 311.124861 187.5
[M+Na-2H]- 273.085676 156.1
[M]+ 252.11046142 153.0
[M]- 252.11155858 153.0
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.