CID 33163

25756-33-6

Structural Information

Molecular Formula

C₅H₁₂O₂S

SMILES

COCCSCCO

InChI

InChI=1S/C5H12O2S/c1-7-3-5-8-4-2-6/h6H,2-5H2,1H3

InChIKey

OYUACNRNQVYILQ-UHFFFAOYSA-N

Compound name

2-(2-methoxyethylsulfanyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 136.0558 Da
Monoisotopic Mass: 0.0
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	127.4
[M+Na]+	159.04502	137.0
[M+NH4]+	154.08962	135.8
[M+K]+	175.01896	129.7
[M-H]-	135.04852	126.8
[M+Na-2H]-	157.03047	130.3
[M]+	136.05525	128.9
[M]-	136.05635	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe