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]+ 131.027356 121.7
[M+Na]+ 153.009298 133.0
[M-H]- 129.012804 122.5
[M+NH4]+ 148.053903 143.3
[M+K]+ 168.983238 129.9
[M+H-H2O]+ 113.017340 116.2
[M+HCOO]- 175.018281 140.0
[M+CH3COO]- 189.033931 163.8
[M+Na-2H]- 150.994746 125.0
[M]+ 130.01953142 122.3
[M]- 130.02062858 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.