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

55
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 123.1
[M+Na]+ 158.02462 132.6
[M-H]- 134.02812 124.6
[M+NH4]+ 153.06922 147.4
[M+K]+ 173.99856 130.8
[M+H-H2O]+ 118.03266 119.2
[M+HCOO]- 180.03360 139.8
[M+CH3COO]- 194.04925 164.0
[M+Na-2H]- 156.01007 126.3
[M]+ 135.03485 122.2
[M]- 135.03595 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