CID 104660

1,5-decadiyne

Structural Information

Molecular Formula

C₁₀H₁₄

SMILES

CCCCC#CCCC#C

InChI

InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1H,4-8H2,2H3

InChIKey

IWIDILFDSIIOSB-UHFFFAOYSA-N

Compound name

deca-1,5-diyne

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 282
Patents: 134.10954 Da
Monoisotopic Mass: 3.4
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]+	135.11682	139.6
[M+Na]+	157.09876	149.1
[M-H]-	133.10226	140.6
[M+NH4]+	152.14336	154.4
[M+K]+	173.07270	145.8
[M+H-H2O]+	117.10680	126.8
[M+HCOO]-	179.10774	149.4
[M+CH3COO]-	193.12339	204.3
[M+Na-2H]-	155.08421	142.2
[M]+	134.10899	132.6
[M]-	134.11009	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe