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

32
Patents

140.04082 Da
Monoisotopic Mass

0.2
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

No literature data available for this compound.

Patent stripe

patents stripe