CID 373715

Nsc650616

Structural Information

Molecular Formula

C₈H₁₄O₂S

SMILES

C1CCOC(C1)OC2CSC2

InChI

InChI=1S/C8H14O2S/c1-2-4-9-8(3-1)10-7-5-11-6-7/h7-8H,1-6H2

InChIKey

ZUSBYWIFLDBSNP-UHFFFAOYSA-N

Compound name

2-(thietan-3-yloxy)oxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 174.07146 Da
Monoisotopic Mass: 1.4
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]+	175.07874	124.6
[M+Na]+	197.06068	127.3
[M-H]-	173.06418	130.6
[M+NH4]+	192.10528	137.0
[M+K]+	213.03462	131.0
[M+H-H2O]+	157.06872	113.2
[M+HCOO]-	219.06966	138.2
[M+CH3COO]-	233.08531	179.0
[M+Na-2H]-	195.04613	128.5
[M]+	174.07091	131.2
[M]-	174.07201	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.