CID 55300606

Methimazole s-oxide

Structural Information

Molecular Formula
C4H6N2OS
SMILES
CN1C=CNC1=S=O
InChI
InChI=1S/C4H6N2OS/c1-6-3-2-5-4(6)8-7/h2-3,5H,1H3
InChIKey
XDDZSHOHIYJKPM-UHFFFAOYSA-N
Compound name
3-methyl-2-sulfinyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

130.02008 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.02736 121.7
[M+Na]+ 153.00930 133.0
[M-H]- 129.01280 122.5
[M+NH4]+ 148.05390 143.3
[M+K]+ 168.98324 129.9
[M+H-H2O]+ 113.01734 116.2
[M+HCOO]- 175.01828 140.0
[M+CH3COO]- 189.03393 163.8
[M+Na-2H]- 150.99475 125.0
[M]+ 130.01953 122.3
[M]- 130.02063 122.3
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.