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]+ 200.073976 143.4
[M+Na]+ 222.055918 160.0
[M-H]- 198.059424 149.6
[M+NH4]+ 217.100523 161.2
[M+K]+ 238.029858 153.2
[M+H-H2O]+ 182.063960 135.7
[M+HCOO]- 244.064901 154.8
[M+CH3COO]- 258.080551 190.4
[M+Na-2H]- 220.041366 149.1
[M]+ 199.06615142 142.6
[M]- 199.06724858 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.