CID 117292

26073-88-1

Structural Information

Molecular Formula

C₁₄H₃₀OS

SMILES

CCCCCCCCCCCCC(CS)O

InChI

InChI=1S/C14H30OS/c1-2-3-4-5-6-7-8-9-10-11-12-14(15)13-16/h14-16H,2-13H2,1H3

InChIKey

ZTHFHHQRUMLRIM-UHFFFAOYSA-N

Compound name

1-sulfanyltetradecan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 246.20174 Da
Monoisotopic Mass: 6.0
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]+	247.209016	164.1
[M+Na]+	269.190958	167.2
[M-H]-	245.194464	161.6
[M+NH4]+	264.235563	181.5
[M+K]+	285.164898	163.8
[M+H-H2O]+	229.199000	158.0
[M+HCOO]-	291.199941	177.5
[M+CH3COO]-	305.215591	195.2
[M+Na-2H]-	267.176406	161.8
[M]+	246.20119142	169.3
[M]-	246.20228858	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe