CID 72875

Dodecyl sulfide

Structural Information

Molecular Formula

C₂₄H₅₀S

SMILES

CCCCCCCCCCCCSCCCCCCCCCCCC

InChI

InChI=1S/C24H50S/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3

InChIKey

UPYPTOCXMIWHSG-UHFFFAOYSA-N

Compound name

1-dodecylsulfanyldodecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3275
Patents: 370.3633 Da
Monoisotopic Mass: 12.0
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]+	371.37058	202.4
[M+Na]+	393.35252	209.6
[M+NH4]+	388.39712	209.1
[M+K]+	409.32646	196.6
[M-H]-	369.35602	202.5
[M+Na-2H]-	391.33797	202.1
[M]+	370.36275	203.8
[M]-	370.36385	203.8

Literature stripe

literature stripe

Patent stripe

patents stripe