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]+ 161.03793 132.0
[M+Na]+ 183.01987 143.5
[M-H]- 159.02337 131.3
[M+NH4]+ 178.06447 151.5
[M+K]+ 198.99381 140.2
[M+H-H2O]+ 143.02791 120.7
[M+HCOO]- 205.02885 142.2
[M+CH3COO]- 219.04450 177.7
[M+Na-2H]- 181.00532 133.9
[M]+ 160.03010 126.2
[M]- 160.03120 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.