CID 67380814

101258-21-3

Structural Information

Molecular Formula
C4H9NO2S
SMILES
CC1CCS(=O)(=O)N1
InChI
InChI=1S/C4H9NO2S/c1-4-2-3-8(6,7)5-4/h4-5H,2-3H2,1H3
InChIKey
ULZOVNGHPDAGMF-UHFFFAOYSA-N
Compound name
3-methyl-1,2-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

135.0354 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.042676 123.1
[M+Na]+ 158.024618 132.6
[M-H]- 134.028124 124.6
[M+NH4]+ 153.069223 147.4
[M+K]+ 173.998558 130.8
[M+H-H2O]+ 118.032660 119.2
[M+HCOO]- 180.033601 139.8
[M+CH3COO]- 194.049251 164.0
[M+Na-2H]- 156.010066 126.3
[M]+ 135.03485142 122.2
[M]- 135.03594858 122.2
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