CID 5274011

Schembl9130731

Structural Information

Molecular Formula
C11H14N2O4
SMILES
C=CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C11H14N2O4/c1-2-7-5-13(11(16)12-10(7)15)9-4-3-8(6-14)17-9/h2,5,8-9,14H,1,3-4,6H2,(H,12,15,16)/t8-,9+/m0/s1
InChIKey
AQZGMOMHHJPYCC-DTWKUNHWSA-N
Compound name
5-ethenyl-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

238.09535 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.102626 150.5
[M+Na]+ 261.084568 159.7
[M-H]- 237.088074 153.1
[M+NH4]+ 256.129173 164.8
[M+K]+ 277.058508 156.3
[M+H-H2O]+ 221.092610 143.4
[M+HCOO]- 283.093551 168.5
[M+CH3COO]- 297.109201 185.0
[M+Na-2H]- 259.070016 152.5
[M]+ 238.09480142 149.6
[M]- 238.09589858 149.6
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

patents stripe