CID 108877

9-tetradecyn-1-ol

Structural Information

Molecular Formula

C₁₄H₂₆O

SMILES

CCCCC#CCCCCCCCCO

InChI

InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-4,7-14H2,1H3

InChIKey

PYLWPDMWSQBLDR-UHFFFAOYSA-N

Compound name

tetradec-9-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 55
Patents: 210.19836 Da
Monoisotopic Mass: 5.0
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]+	211.205636	150.0
[M+Na]+	233.187578	156.6
[M-H]-	209.191084	147.6
[M+NH4]+	228.232183	166.7
[M+K]+	249.161518	152.9
[M+H-H2O]+	193.195620	138.9
[M+HCOO]-	255.196561	165.1
[M+CH3COO]-	269.212211	195.2
[M+Na-2H]-	231.173026	152.5
[M]+	210.19781142	147.8
[M]-	210.19890858	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe