CID 97628793

1708269-08-2

Structural Information

Molecular Formula
C5H8N2O2S
SMILES
C#CCN1CCNS1(=O)=O
InChI
InChI=1S/C5H8N2O2S/c1-2-4-7-5-3-6-10(7,8)9/h1,6H,3-5H2
InChIKey
STGUBEZANGCLQU-UHFFFAOYSA-N
Compound name
2-prop-2-ynyl-1,2,5-thiadiazolidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.03065 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.037926 132.0
[M+Na]+ 183.019868 143.5
[M-H]- 159.023374 131.3
[M+NH4]+ 178.064473 151.5
[M+K]+ 198.993808 140.2
[M+H-H2O]+ 143.027910 120.7
[M+HCOO]- 205.028851 142.2
[M+CH3COO]- 219.044501 177.7
[M+Na-2H]- 181.005316 133.9
[M]+ 160.03010142 126.2
[M]- 160.03119858 126.2
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

No patent data available for this compound.