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 134.4
[M+Na]+ 198.05592 142.6
[M-H]- 174.05942 137.3
[M+NH4]+ 193.10052 158.6
[M+K]+ 214.02986 140.8
[M+H-H2O]+ 158.06396 129.7
[M+HCOO]- 220.06490 148.9
[M+CH3COO]- 234.08055 173.8
[M+Na-2H]- 196.04137 137.8
[M]+ 175.06615 132.8
[M]- 175.06725 132.8
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