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: 27
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]+	137.063076	127.0
[M+Na]+	159.045018	134.1
[M-H]-	135.048524	126.1
[M+NH4]+	154.089623	148.8
[M+K]+	175.018958	133.1
[M+H-H2O]+	119.053060	122.4
[M+HCOO]-	181.054001	144.6
[M+CH3COO]-	195.069651	169.4
[M+Na-2H]-	157.030466	130.5
[M]+	136.05525142	130.9
[M]-	136.05634858	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe