CID 137935841

2253631-09-1

Structural Information

Molecular Formula

C₆H₁₀O₄S

SMILES

C1CC2(C1)COS(=O)(=O)OC2

InChI

InChI=1S/C6H10O4S/c7-11(8)9-4-6(5-10-11)2-1-3-6/h1-5H2

InChIKey

LTUFYOXRHRWJDU-UHFFFAOYSA-N

Compound name

6,8-dioxa-7lambda6-thiaspiro[3.5]nonane 7,7-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 178.02998 Da
Monoisotopic Mass: 0.6
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]+	179.03726	127.9
[M+Na]+	201.01920	133.6
[M+NH4]+	196.06380	135.0
[M+K]+	216.99314	126.9
[M-H]-	177.02270	129.1
[M+Na-2H]-	199.00465	132.4
[M]+	178.02943	128.5
[M]-	178.03053	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.