CID 21493711

Tert-tetradecanethiol

Structural Information

Molecular Formula

C₁₄H₃₀S

SMILES

CCCCCCCCCCCC(C)(C)S

InChI

InChI=1S/C14H30S/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h15H,4-13H2,1-3H3

InChIKey

LMDDHLWHSDZGIH-UHFFFAOYSA-N

Compound name

2-methyltridecane-2-thiol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 960
Patents: 230.20682 Da
Monoisotopic Mass: 6.7
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]+	231.21410	161.6
[M+Na]+	253.19604	170.6
[M+NH4]+	248.24064	169.8
[M+K]+	269.16998	161.0
[M-H]-	229.19954	161.6
[M+Na-2H]-	251.18149	163.6
[M]+	230.20627	163.4
[M]-	230.20737	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe