CID 11400802

2-(2-methoxyethoxy)ethane-1-thiol

Structural Information

Molecular Formula

C₅H₁₂O₂S

SMILES

COCCOCCS

InChI

InChI=1S/C5H12O2S/c1-6-2-3-7-4-5-8/h8H,2-5H2,1H3

InChIKey

CDBORKXXLPAUKJ-UHFFFAOYSA-N

Compound name

2-(2-methoxyethoxy)ethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 620
Patents: 136.0558 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]+	137.06308	126.4
[M+Na]+	159.04502	134.0
[M-H]-	135.04852	127.0
[M+NH4]+	154.08962	149.0
[M+K]+	175.01896	134.0
[M+H-H2O]+	119.05306	121.6
[M+HCOO]-	181.05400	145.6
[M+CH3COO]-	195.06965	172.1
[M+Na-2H]-	157.03047	130.4
[M]+	136.05525	132.3
[M]-	136.05635	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe