CID 4557596

51793-97-6

Structural Information

Molecular Formula
C5H6N2S
SMILES
CC1=CC(=S)N=CN1
InChI
InChI=1S/C5H6N2S/c1-4-2-5(8)7-3-6-4/h2-3H,1H3,(H,6,7,8)
InChIKey
HCADPDLQEAZJJN-UHFFFAOYSA-N
Compound name
6-methyl-1H-pyrimidine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

126.02517 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.032446 120.1
[M+Na]+ 149.014388 130.6
[M-H]- 125.017894 120.6
[M+NH4]+ 144.058993 140.0
[M+K]+ 164.988328 126.9
[M+H-H2O]+ 109.022430 114.3
[M+HCOO]- 171.023371 136.9
[M+CH3COO]- 185.039021 166.2
[M+Na-2H]- 146.999836 125.7
[M]+ 126.02462142 119.6
[M]- 126.02571858 119.6
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