CID 588357

2-(methylsulfanyl)pyrimidin-5-ol

Structural Information

Molecular Formula
C5H6N2OS
SMILES
CSC1=NC=C(C=N1)O
InChI
InChI=1S/C5H6N2OS/c1-9-5-6-2-4(8)3-7-5/h2-3,8H,1H3
InChIKey
VVTBLRLLKIDVKB-UHFFFAOYSA-N
Compound name
2-methylsulfanylpyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

142.02008 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02736 124.1
[M+Na]+ 165.00930 134.2
[M-H]- 141.01280 124.6
[M+NH4]+ 160.05390 143.3
[M+K]+ 180.98324 131.5
[M+H-H2O]+ 125.01734 118.0
[M+HCOO]- 187.01828 141.0
[M+CH3COO]- 201.03393 169.0
[M+Na-2H]- 162.99475 129.7
[M]+ 142.01953 125.7
[M]- 142.02063 125.7
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