CID 74400

1,9-decadiyne

Structural Information

Molecular Formula

C₁₀H₁₄

SMILES

C#CCCCCCCC#C

InChI

InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1-2H,5-10H2

InChIKey

ILVDYAGPHFWNQI-UHFFFAOYSA-N

Compound name

deca-1,9-diyne

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 397
Patents: 134.10954 Da
Monoisotopic Mass: 3.5
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]+	135.116816	138.9
[M+Na]+	157.098758	148.4
[M-H]-	133.102264	139.9
[M+NH4]+	152.143363	153.6
[M+K]+	173.072698	145.0
[M+H-H2O]+	117.106800	126.0
[M+HCOO]-	179.107741	148.7
[M+CH3COO]-	193.123391	205.1
[M+Na-2H]-	155.084206	141.6
[M]+	134.10899142	132.0
[M]-	134.11008858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe