CID 4321798

Dec-1-en-4-yne

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

CCCCCC#CCC=C

InChI

InChI=1S/C10H16/c1-3-5-7-9-10-8-6-4-2/h3H,1,4-6,8,10H2,2H3

InChIKey

VIHLRKUNALRENO-UHFFFAOYSA-N

Compound name

dec-1-en-4-yne

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 79
Patents: 136.1252 Da
Monoisotopic Mass: 4.2
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]+	137.132476	129.9
[M+Na]+	159.114418	138.7
[M-H]-	135.117924	129.4
[M+NH4]+	154.159023	149.8
[M+K]+	175.088358	135.7
[M+H-H2O]+	119.122460	119.5
[M+HCOO]-	181.123401	147.4
[M+CH3COO]-	195.139051	184.4
[M+Na-2H]-	157.099866	134.8
[M]+	136.12465142	126.1
[M]-	136.12574858	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe