CID 144130

11-hexadecyn-1-ol

Structural Information

Molecular Formula

C₁₆H₃₀O

SMILES

CCCCC#CCCCCCCCCCCO

InChI

InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-4,7-16H2,1H3

InChIKey

CWJKFTYJCIEEDB-UHFFFAOYSA-N

Compound name

hexadec-11-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 238.22966 Da
Monoisotopic Mass: 6.1
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]+	239.23694	157.7
[M+Na]+	261.21888	163.6
[M-H]-	237.22238	155.0
[M+NH4]+	256.26348	173.4
[M+K]+	277.19282	159.4
[M+H-H2O]+	221.22692	146.3
[M+HCOO]-	283.22786	172.2
[M+CH3COO]-	297.24351	200.6
[M+Na-2H]-	259.20433	159.3
[M]+	238.22911	156.2
[M]-	238.23021	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.