CID 452916

1-(2ohetome)-6vinylt

Structural Information

Molecular Formula
C10H14N2O4
SMILES
CC1=C(N(C(=O)NC1=O)COCCO)C=C
InChI
InChI=1S/C10H14N2O4/c1-3-8-7(2)9(14)11-10(15)12(8)6-16-5-4-13/h3,13H,1,4-6H2,2H3,(H,11,14,15)
InChIKey
RVVIDXKPNPHISP-UHFFFAOYSA-N
Compound name
6-ethenyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

226.09535 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 146.7
[M+Na]+ 249.08457 157.2
[M-H]- 225.08807 145.8
[M+NH4]+ 244.12917 161.6
[M+K]+ 265.05851 153.2
[M+H-H2O]+ 209.09261 140.0
[M+HCOO]- 271.09355 166.7
[M+CH3COO]- 285.10920 185.4
[M+Na-2H]- 247.07002 150.6
[M]+ 226.09480 149.5
[M]- 226.09590 149.5
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