CID 474199

3,4-disulfanylbutan-2-ol

Structural Information

Molecular Formula

C₄H₁₀OS₂

SMILES

CC(C(CS)S)O

InChI

InChI=1S/C4H10OS2/c1-3(5)4(7)2-6/h3-7H,2H2,1H3

InChIKey

LXLPOYBCNBCHNV-UHFFFAOYSA-N

Compound name

3,4-bis(sulfanyl)butan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 138.0173 Da
Monoisotopic Mass: 0.6
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]+	139.02458	124.7
[M+Na]+	161.00652	131.4
[M-H]-	137.01002	123.8
[M+NH4]+	156.05112	146.1
[M+K]+	176.98046	129.4
[M+H-H2O]+	121.01456	120.1
[M+HCOO]-	183.01550	134.1
[M+CH3COO]-	197.03115	171.3
[M+Na-2H]-	158.99197	123.9
[M]+	138.01675	126.2
[M]-	138.01785	126.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe