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: 30
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	141.6
[M+Na]+	171.11442	150.8
[M-H]-	147.11792	142.5
[M+NH4]+	166.15902	155.9
[M+K]+	187.08836	147.2
[M+H-H2O]+	131.12246	128.6
[M+HCOO]-	193.12340	151.2
[M+CH3COO]-	207.13905	207.1
[M+Na-2H]-	169.09987	144.0
[M]+	148.12465	135.0
[M]-	148.12575	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe