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

literature stripe

Patent stripe

patents stripe