CID 12081662

1-[(2-hydroxyethoxy)methyl]-5-vinyluracil

Structural Information

Molecular Formula
C9H12N2O4
SMILES
C=CC1=CN(C(=O)NC1=O)COCCO
InChI
InChI=1S/C9H12N2O4/c1-2-7-5-11(6-15-4-3-12)9(14)10-8(7)13/h2,5,12H,1,3-4,6H2,(H,10,13,14)
InChIKey
SCMIJIRXGXEIKE-UHFFFAOYSA-N
Compound name
5-ethenyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

212.07971 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 142.5
[M+Na]+ 235.06893 152.4
[M-H]- 211.07243 141.4
[M+NH4]+ 230.11353 157.6
[M+K]+ 251.04287 148.7
[M+H-H2O]+ 195.07697 135.6
[M+HCOO]- 257.07791 162.8
[M+CH3COO]- 271.09356 181.1
[M+Na-2H]- 233.05438 147.6
[M]+ 212.07916 144.5
[M]- 212.08026 144.5
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