CID 132344057

2137600-04-3

Structural Information

Molecular Formula
C7H13NO2S
SMILES
C[C@]12CNC[C@H]1CS(=O)(=O)C2
InChI
InChI=1S/C7H13NO2S/c1-7-4-8-2-6(7)3-11(9,10)5-7/h6,8H,2-5H2,1H3/t6-,7+/m0/s1
InChIKey
MSMNPBKNLNQSCY-NKWVEPMBSA-N
Compound name
(3aR,6aS)-3a-methyl-1,3,4,5,6,6a-hexahydrothieno[3,4-c]pyrrole 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0667 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07398 135.5
[M+Na]+ 198.05592 145.3
[M-H]- 174.05942 137.7
[M+NH4]+ 193.10052 162.9
[M+K]+ 214.02986 142.8
[M+H-H2O]+ 158.06396 132.6
[M+HCOO]- 220.06490 150.7
[M+CH3COO]- 234.08055 171.1
[M+Na-2H]- 196.04137 138.6
[M]+ 175.06615 134.9
[M]- 175.06725 134.9
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.