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]+	169.15869	139.0
[M+Na]+	191.14063	148.8
[M+NH4]+	186.18523	143.1
[M+K]+	207.11457	139.0
[M-H]-	167.14413	130.7
[M+Na-2H]-	189.12608	139.5
[M]+	168.15086	137.1
[M]-	168.15196	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe