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: 21
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]+	169.15869	138.0
[M+Na]+	191.14063	145.7
[M-H]-	167.14413	136.0
[M+NH4]+	186.18523	156.1
[M+K]+	207.11457	142.6
[M+H-H2O]+	151.14867	127.4
[M+HCOO]-	213.14961	153.9
[M+CH3COO]-	227.16526	187.7
[M+Na-2H]-	189.12608	141.9
[M]+	168.15086	134.8
[M]-	168.15196	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe