CID 14494

1,10-decanedithiol

Structural Information

Molecular Formula

C₁₀H₂₂S₂

SMILES

C(CCCCCS)CCCCS

InChI

InChI=1S/C10H22S2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2

InChIKey

UOQACRNTVQWTFF-UHFFFAOYSA-N

Compound name

decane-1,10-dithiol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 4315
Patents: 206.11629 Da
Monoisotopic Mass: 4.4
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]+	207.12357	145.0
[M+Na]+	229.10551	150.6
[M-H]-	205.10901	144.5
[M+NH4]+	224.15011	164.9
[M+K]+	245.07945	146.8
[M+H-H2O]+	189.11355	139.3
[M+HCOO]-	251.11449	156.1
[M+CH3COO]-	265.13014	188.2
[M+Na-2H]-	227.09096	143.9
[M]+	206.11574	150.4
[M]-	206.11684	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe