CID 581856

14486-52-3

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

137
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 124.9
[M+Na]+ 151.03004 137.0
[M+NH4]+ 146.07464 134.1
[M+K]+ 167.00398 130.6
[M-H]- 127.03354 126.1
[M+Na-2H]- 149.01549 130.4
[M]+ 128.04027 127.4
[M]- 128.04137 127.4
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