CID 15906

2-hydroxyethyl disulfide

Structural Information

Molecular Formula

C₄H₁₀O₂S₂

SMILES

C(CSSCCO)O

InChI

InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2

InChIKey

KYNFOMQIXZUKRK-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethyldisulfanyl)ethanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 71
References: 8311
Patents: 154.01222 Da
Monoisotopic Mass: -0.5
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]+	155.019496	127.7
[M+Na]+	177.001438	134.4
[M-H]-	153.004944	125.0
[M+NH4]+	172.046043	147.8
[M+K]+	192.975378	130.8
[M+H-H2O]+	137.009480	123.0
[M+HCOO]-	199.010421	138.0
[M+CH3COO]-	213.026071	168.9
[M+Na-2H]-	174.986886	128.7
[M]+	154.01167142	129.8
[M]-	154.01276858	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe