CID 673664

4,6-dimethyl-2-mercaptopyrimidine

Structural Information

Molecular Formula
C6H8N2S
SMILES
CC1=CC(=NC(=S)N1)C
InChI
InChI=1S/C6H8N2S/c1-4-3-5(2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)
InChIKey
RAFAYWADRVMWFA-UHFFFAOYSA-N
Compound name
4,6-dimethyl-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

1005
Patents

140.04082 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.048096 124.3
[M+Na]+ 163.030038 135.2
[M-H]- 139.033544 124.9
[M+NH4]+ 158.074643 143.9
[M+K]+ 179.003978 131.2
[M+H-H2O]+ 123.038080 118.5
[M+HCOO]- 185.039021 140.6
[M+CH3COO]- 199.054671 170.3
[M+Na-2H]- 161.015486 128.6
[M]+ 140.04027142 124.5
[M]- 140.04136858 124.5
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