CID 22748462

2-hexyldecane-1-thiol

Structural Information

Molecular Formula

C₁₆H₃₄S

SMILES

CCCCCCCCC(CCCCCC)CS

InChI

InChI=1S/C16H34S/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3

InChIKey

YCKXQNXSFUHWSO-UHFFFAOYSA-N

Compound name

2-hexyldecane-1-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 258.23813 Da
Monoisotopic Mass: 8.0
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]+	259.24541	168.7
[M+Na]+	281.22735	177.3
[M+NH4]+	276.27195	176.7
[M+K]+	297.20129	166.8
[M-H]-	257.23085	169.0
[M+Na-2H]-	279.21280	170.0
[M]+	258.23758	170.4
[M]-	258.23868	170.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe