CID 59649456

88550-63-4

Structural Information

Molecular Formula
C5H11NO2S
SMILES
CC1(CCS(=O)(=O)N1)C
InChI
InChI=1S/C5H11NO2S/c1-5(2)3-4-9(7,8)6-5/h6H,3-4H2,1-2H3
InChIKey
XDLKHEFKZQJAEV-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1,2-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

149.05106 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.058336 125.3
[M+Na]+ 172.040278 135.2
[M-H]- 148.043784 126.9
[M+NH4]+ 167.084883 151.0
[M+K]+ 188.014218 133.4
[M+H-H2O]+ 132.048320 122.3
[M+HCOO]- 194.049261 141.7
[M+CH3COO]- 208.064911 166.9
[M+Na-2H]- 170.025726 129.8
[M]+ 149.05051142 125.3
[M]- 149.05160858 125.3
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

patents stripe