CID 3000347

132885-30-4

Structural Information

Molecular Formula
C8H12N2O3S
SMILES
CC1=CN(C(=S)NC1=O)COCCO
InChI
InChI=1S/C8H12N2O3S/c1-6-4-10(5-13-3-2-11)8(14)9-7(6)12/h4,11H,2-3,5H2,1H3,(H,9,12,14)
InChIKey
OZWBJPXIEADLOZ-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-5-methyl-2-sulfanylidenepyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

216.05687 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06415 143.1
[M+Na]+ 239.04609 153.3
[M-H]- 215.04959 142.2
[M+NH4]+ 234.09069 158.8
[M+K]+ 255.02003 148.6
[M+H-H2O]+ 199.05413 136.8
[M+HCOO]- 261.05507 158.1
[M+CH3COO]- 275.07072 180.5
[M+Na-2H]- 237.03154 145.4
[M]+ 216.05632 146.1
[M]- 216.05742 146.1
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

No patent data available for this compound.