CID 816946

2-hydroxy-4-methyl-6-(methylthio)pyrimidine

Structural Information

Molecular Formula
C6H8N2OS
SMILES
CC1=CC(=NC(=O)N1)SC
InChI
InChI=1S/C6H8N2OS/c1-4-3-5(10-2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)
InChIKey
QLJKXZSFZWWMOW-UHFFFAOYSA-N
Compound name
6-methyl-4-methylsulfanyl-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

156.03574 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.043016 127.9
[M+Na]+ 179.024958 138.7
[M-H]- 155.028464 128.5
[M+NH4]+ 174.069563 146.8
[M+K]+ 194.998898 135.1
[M+H-H2O]+ 139.033000 121.9
[M+HCOO]- 201.033941 144.5
[M+CH3COO]- 215.049591 172.3
[M+Na-2H]- 177.010406 132.2
[M]+ 156.03519142 129.5
[M]- 156.03628858 129.5
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