CID 11658348

496863-48-0

Structural Information

Molecular Formula
C7H8N2OS
SMILES
CC(=O)C1=NC(=NC=C1)SC
InChI
InChI=1S/C7H8N2OS/c1-5(10)6-3-4-8-7(9-6)11-2/h3-4H,1-2H3
InChIKey
WXQMROLQWGTVBM-UHFFFAOYSA-N
Compound name
1-(2-methylsulfanylpyrimidin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

168.03574 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04302 133.9
[M+Na]+ 191.02496 146.8
[M+NH4]+ 186.06956 142.1
[M+K]+ 206.99890 139.0
[M-H]- 167.02846 135.0
[M+Na-2H]- 189.01041 140.1
[M]+ 168.03519 136.4
[M]- 168.03629 136.4
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

patents stripe