CID 534854

9-undecyn-1-ol

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CC#CCCCCCCCCO

InChI

InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,4-11H2,1H3

InChIKey

YSDWKSIWEWYTEF-UHFFFAOYSA-N

Compound name

undec-9-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 168.15141 Da
Monoisotopic Mass: 3.6
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]+	169.158686	138.0
[M+Na]+	191.140628	145.7
[M-H]-	167.144134	136.0
[M+NH4]+	186.185233	156.1
[M+K]+	207.114568	142.6
[M+H-H2O]+	151.148670	127.4
[M+HCOO]-	213.149611	153.9
[M+CH3COO]-	227.165261	187.7
[M+Na-2H]-	189.126076	141.9
[M]+	168.15086142	134.8
[M]-	168.15195858	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe