CID 102433971

91981-72-5

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]+ 176.073976 134.4
[M+Na]+ 198.055918 142.6
[M-H]- 174.059424 137.3
[M+NH4]+ 193.100523 158.6
[M+K]+ 214.029858 140.8
[M+H-H2O]+ 158.063960 129.7
[M+HCOO]- 220.064901 148.9
[M+CH3COO]- 234.080551 173.8
[M+Na-2H]- 196.041366 137.8
[M]+ 175.06615142 132.8
[M]- 175.06724858 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