CID 342408

Nsc379298

Structural Information

Molecular Formula

C₅H₁₀O₆S₂

SMILES

CCC1S(=O)(=O)OCCOS1(=O)=O

InChI

InChI=1S/C5H10O6S2/c1-2-5-12(6,7)10-3-4-11-13(5,8)9/h5H,2-4H2,1H3

InChIKey

CILNHWVUYSZLQS-UHFFFAOYSA-N

Compound name

3-ethyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 229.99188 Da
Monoisotopic Mass: -0.1
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]+	230.99916	136.0
[M+Na]+	252.98110	141.4
[M-H]-	228.98460	141.1
[M+NH4]+	248.02570	153.3
[M+K]+	268.95504	146.1
[M+H-H2O]+	212.98914	132.1
[M+HCOO]-	274.99008	145.8
[M+CH3COO]-	289.00573	182.5
[M+Na-2H]-	250.96655	141.4
[M]+	229.99133	137.1
[M]-	229.99243	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe