CID 581856

1-methyl-2-(methylthio)imidazole

Structural Information

Molecular Formula
C5H8N2S
SMILES
CN1C=CN=C1SC
InChI
InChI=1S/C5H8N2S/c1-7-4-3-6-5(7)8-2/h3-4H,1-2H3
InChIKey
LKIVEIAXFZBGMO-UHFFFAOYSA-N
Compound name
1-methyl-2-methylsulfanylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

204
Patents

128.04082 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.04810 122.4
[M+Na]+ 151.03004 133.1
[M-H]- 127.03354 124.3
[M+NH4]+ 146.07464 144.9
[M+K]+ 167.00398 131.7
[M+H-H2O]+ 111.03808 116.4
[M+HCOO]- 173.03902 141.3
[M+CH3COO]- 187.05467 169.9
[M+Na-2H]- 149.01549 125.7
[M]+ 128.04027 125.3
[M]- 128.04137 125.3
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