CID 4410552

2,6-dimethylpyrimidine-4-thiol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

140.04082 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04810 124.3
[M+Na]+ 163.03004 135.2
[M-H]- 139.03354 124.9
[M+NH4]+ 158.07464 143.9
[M+K]+ 179.00398 131.2
[M+H-H2O]+ 123.03808 118.5
[M+HCOO]- 185.03902 140.6
[M+CH3COO]- 199.05467 170.3
[M+Na-2H]- 161.01549 128.6
[M]+ 140.04027 124.5
[M]- 140.04137 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

No literature data available for this compound.

Patent stripe

patents stripe