CID 102433971

Hexahydro-2h-isothiazolo[2,3-a]pyridine 1,1-dioxide

Structural Information

Molecular Formula
C7H13NO2S
SMILES
C1CCN2C(C1)CCS2(=O)=O
InChI
InChI=1S/C7H13NO2S/c9-11(10)6-4-7-3-1-2-5-8(7)11/h7H,1-6H2
InChIKey
UVOXVZYPIOBZRK-UHFFFAOYSA-N
Compound name
3,3a,4,5,6,7-hexahydro-2H-[1,2]thiazolo[2,3-a]pyridine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

175.0667 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07398 136.7
[M+Na]+ 198.05592 146.1
[M+NH4]+ 193.10052 147.2
[M+K]+ 214.02986 138.4
[M-H]- 174.05942 137.4
[M+Na-2H]- 196.04137 140.8
[M]+ 175.06615 138.6
[M]- 175.06725 138.6
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

patents stripe