CID 132351252

2137857-68-0

Structural Information

Molecular Formula
C7H13NO2S
SMILES
C1C[C@@H]2CNC[C@@H]2S(=O)(=O)C1
InChI
InChI=1S/C7H13NO2S/c9-11(10)3-1-2-6-4-8-5-7(6)11/h6-8H,1-5H2/t6-,7+/m1/s1
InChIKey
GELCKNHHQNYVSV-RQJHMYQMSA-N
Compound name
(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrothiopyrano[2,3-c]pyrrole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0667 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07398 135.0
[M+Na]+ 198.05592 142.7
[M-H]- 174.05942 136.4
[M+NH4]+ 193.10052 158.5
[M+K]+ 214.02986 139.9
[M+H-H2O]+ 158.06396 130.6
[M+HCOO]- 220.06490 147.9
[M+CH3COO]- 234.08055 171.2
[M+Na-2H]- 196.04137 138.0
[M]+ 175.06615 131.5
[M]- 175.06725 131.5
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.