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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	176.073976	135.0
[M+Na]+	198.055918	142.7
[M-H]-	174.059424	136.4
[M+NH4]+	193.100523	158.5
[M+K]+	214.029858	139.9
[M+H-H2O]+	158.063960	130.6
[M+HCOO]-	220.064901	147.9
[M+CH3COO]-	234.080551	171.2
[M+Na-2H]-	196.041366	138.0
[M]+	175.06615142	131.5
[M]-	175.06724858	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.