CID 821261

14001-63-9

Structural Information

Molecular Formula
C6H8N2S
SMILES
CC1=NC(=NC=C1)SC
InChI
InChI=1S/C6H8N2S/c1-5-3-4-7-6(8-5)9-2/h3-4H,1-2H3
InChIKey
UCERVHYBSTYCQS-UHFFFAOYSA-N
Compound name
4-methyl-2-methylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

732
Patents

140.04082 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04810 124.3
[M+Na]+ 163.03004 134.5
[M-H]- 139.03354 126.0
[M+NH4]+ 158.07464 144.4
[M+K]+ 179.00398 132.2
[M+H-H2O]+ 123.03808 118.0
[M+HCOO]- 185.03902 142.1
[M+CH3COO]- 199.05467 172.7
[M+Na-2H]- 161.01549 129.9
[M]+ 140.04027 126.7
[M]- 140.04137 126.7
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