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]+	179.037256	119.9
[M+Na]+	201.019198	125.7
[M-H]-	177.022704	126.7
[M+NH4]+	196.063803	135.1
[M+K]+	216.993138	130.8
[M+H-H2O]+	161.027240	111.4
[M+HCOO]-	223.028181	133.9
[M+CH3COO]-	237.043831	175.6
[M+Na-2H]-	199.004646	129.1
[M]+	178.02943142	129.4
[M]-	178.03052858	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.