CID 72263

3'-ch2-5-medu

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC(=C)[C@H](O2)CO
InChI
InChI=1S/C11H14N2O4/c1-6-3-9(17-8(6)5-14)13-4-7(2)10(15)12-11(13)16/h4,8-9,14H,1,3,5H2,2H3,(H,12,15,16)/t8-,9-/m1/s1
InChIKey
LOJSNYMIIFOHIJ-RKDXNWHRSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-4-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

238.09535 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 150.4
[M+Na]+ 261.08457 160.6
[M-H]- 237.08807 153.5
[M+NH4]+ 256.12917 165.1
[M+K]+ 277.05851 157.2
[M+H-H2O]+ 221.09261 143.7
[M+HCOO]- 283.09355 168.4
[M+CH3COO]- 297.10920 186.3
[M+Na-2H]- 259.07002 151.8
[M]+ 238.09480 149.9
[M]- 238.09590 149.9
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.