CID 526189

2-methoxy-2-methylthiolan-3-one

Structural Information

Molecular Formula

C₆H₁₀O₂S

SMILES

CC1(C(=O)CCS1)OC

InChI

InChI=1S/C6H10O2S/c1-6(8-2)5(7)3-4-9-6/h3-4H2,1-2H3

InChIKey

FCDCVDDFZHJGKZ-UHFFFAOYSA-N

Compound name

2-methoxy-2-methylthiolan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 146.04015 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]+	147.047426	127.5
[M+Na]+	169.029368	136.3
[M-H]-	145.032874	131.6
[M+NH4]+	164.073973	153.4
[M+K]+	185.003308	135.6
[M+H-H2O]+	129.037410	123.9
[M+HCOO]-	191.038351	146.2
[M+CH3COO]-	205.054001	170.8
[M+Na-2H]-	167.014816	130.5
[M]+	146.03960142	129.5
[M]-	146.04069858	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.