CID 10080397

17643-17-3

Structural Information

Molecular Formula

C₄H₁₀O₂S

SMILES

C(COCCS)O

InChI

InChI=1S/C4H10O2S/c5-1-2-6-3-4-7/h5,7H,1-4H2

InChIKey

CAULSPKRQNHKIT-UHFFFAOYSA-N

Compound name

2-(2-sulfanylethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27167
Patents: 122.04015 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]+	123.04743	122.5
[M+Na]+	145.02937	130.1
[M-H]-	121.03287	121.8
[M+NH4]+	140.07397	144.9
[M+K]+	161.00331	129.3
[M+H-H2O]+	105.03741	118.2
[M+HCOO]-	167.03835	140.5
[M+CH3COO]-	181.05400	166.3
[M+Na-2H]-	143.01482	126.5
[M]+	122.03960	126.1
[M]-	122.04070	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe