CID 132372761

2166992-67-0

Structural Information

Molecular Formula
C9H13NO2S
SMILES
C#CCN1CCCC2(S1(=O)=O)CC2
InChI
InChI=1S/C9H13NO2S/c1-2-7-10-8-3-4-9(5-6-9)13(10,11)12/h1H,3-8H2
InChIKey
UKRHPDIKQRTXMP-UHFFFAOYSA-N
Compound name
5-prop-2-ynyl-4lambda6-thia-5-azaspiro[2.5]octane 4,4-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.0667 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07398 143.4
[M+Na]+ 222.05592 160.0
[M-H]- 198.05942 149.6
[M+NH4]+ 217.10052 161.2
[M+K]+ 238.02986 153.2
[M+H-H2O]+ 182.06396 135.7
[M+HCOO]- 244.06490 154.8
[M+CH3COO]- 258.08055 190.4
[M+Na-2H]- 220.04137 149.1
[M]+ 199.06615 142.6
[M]- 199.06725 142.6
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.