CID 3009058

Schembl17481702

Structural Information

Molecular Formula
C5H8N2OS
SMILES
CN1C=CN=C1S(=O)C
InChI
InChI=1S/C5H8N2OS/c1-7-4-3-6-5(7)9(2)8/h3-4H,1-2H3
InChIKey
SYZHBDIUGGHYNU-UHFFFAOYSA-N
Compound name
1-methyl-2-methylsulfinylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

144.03574 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04302 125.9
[M+Na]+ 167.02496 136.4
[M-H]- 143.02846 128.0
[M+NH4]+ 162.06956 147.5
[M+K]+ 182.99890 135.2
[M+H-H2O]+ 127.03300 119.9
[M+HCOO]- 189.03394 144.1
[M+CH3COO]- 203.04959 171.8
[M+Na-2H]- 165.01041 128.2
[M]+ 144.03519 128.9
[M]- 144.03629 128.9
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