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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.