CID 59155177

4-methylisothiazolidine 1,1-dioxide

Structural Information

Molecular Formula
C4H9NO2S
SMILES
CC1CNS(=O)(=O)C1
InChI
InChI=1S/C4H9NO2S/c1-4-2-5-8(6,7)3-4/h4-5H,2-3H2,1H3
InChIKey
ZJNXUAJQNBXKSL-UHFFFAOYSA-N
Compound name
4-methyl-1,2-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

135.0354 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.04268 126.6
[M+Na]+ 158.02462 135.9
[M+NH4]+ 153.06922 136.0
[M+K]+ 173.99856 129.3
[M-H]- 134.02812 126.1
[M+Na-2H]- 156.01007 130.9
[M]+ 135.03485 128.1
[M]- 135.03595 128.1
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

patents stripe