CID 61343040

1249419-11-1

Structural Information

Molecular Formula
C6H9NO2S
SMILES
C#CCN1CCCS1(=O)=O
InChI
InChI=1S/C6H9NO2S/c1-2-4-7-5-3-6-10(7,8)9/h1H,3-6H2
InChIKey
OQLSHDRLULKJLS-UHFFFAOYSA-N
Compound name
2-prop-2-ynyl-1,2-thiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.0354 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.042676 132.8
[M+Na]+ 182.024618 144.7
[M-H]- 158.028124 134.8
[M+NH4]+ 177.069223 154.3
[M+K]+ 197.998558 141.5
[M+H-H2O]+ 142.032660 122.2
[M+HCOO]- 204.033601 145.3
[M+CH3COO]- 218.049251 180.3
[M+Na-2H]- 180.010066 134.9
[M]+ 159.03485142 128.7
[M]- 159.03594858 128.7
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.