CID 203869

Mtfso

Structural Information

Molecular Formula

C₆H₁₂O₂S

SMILES

CS(=O)CC1CCCO1

InChI

InChI=1S/C6H12O2S/c1-9(7)5-6-3-2-4-8-6/h6H,2-5H2,1H3

InChIKey

WYWZVNWPUSRJDL-UHFFFAOYSA-N

Compound name

2-(methylsulfinylmethyl)oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 148.0558 Da
Monoisotopic Mass: -0.3
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]+	149.06308	130.0
[M+Na]+	171.04502	137.0
[M-H]-	147.04852	134.3
[M+NH4]+	166.08962	152.3
[M+K]+	187.01896	137.5
[M+H-H2O]+	131.05306	125.4
[M+HCOO]-	193.05400	146.9
[M+CH3COO]-	207.06965	171.0
[M+Na-2H]-	169.03047	131.8
[M]+	148.05525	131.1
[M]-	148.05635	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe