CID 77764

1,10-undecadiyne

Structural Information

Molecular Formula

C₁₁H₁₆

SMILES

C#CCCCCCCCC#C

InChI

InChI=1S/C11H16/c1-3-5-7-9-11-10-8-6-4-2/h1-2H,5-11H2

InChIKey

PZWZXAPXSJTOOI-UHFFFAOYSA-N

Compound name

undeca-1,10-diyne

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 28
Patents: 148.1252 Da
Monoisotopic Mass: 4.1
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]+	149.13248	156.6
[M+Na]+	171.11442	164.9
[M+NH4]+	166.15902	157.5
[M+K]+	187.08836	154.0
[M-H]-	147.11792	145.0
[M+Na-2H]-	169.09987	154.8
[M]+	148.12465	153.3
[M]-	148.12575	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe