CID 66625329

Misetionamide

Structural Information

Molecular Formula
C3H7NO3S
SMILES
C1CS(=O)(=O)NCO1
InChI
InChI=1S/C3H7NO3S/c5-8(6)2-1-7-3-4-8/h4H,1-3H2
InChIKey
GHDARLKSYBCZRE-UHFFFAOYSA-N
Compound name
1,4,3-oxathiazinane 4,4-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

137.01466 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.02194 121.0
[M+Na]+ 160.00388 128.8
[M-H]- 136.00738 122.6
[M+NH4]+ 155.04848 141.5
[M+K]+ 175.97782 128.7
[M+H-H2O]+ 120.01192 116.4
[M+HCOO]- 182.01286 135.4
[M+CH3COO]- 196.02851 162.2
[M+Na-2H]- 157.98933 127.8
[M]+ 137.01411 119.1
[M]- 137.01521 119.1
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.