CID 5283360

4,10-undecadiynal

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

C#CCCCCC#CCCC=O

InChI

InChI=1S/C11H14O/c1-2-3-4-5-6-7-8-9-10-11-12/h1,11H,3-6,9-10H2

InChIKey

UWQTVOGCRQIRPD-UHFFFAOYSA-N

Compound name

undeca-4,10-diynal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.10446 Da
Monoisotopic Mass: 2.3
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]+	163.11174	144.4
[M+Na]+	185.09368	153.9
[M-H]-	161.09718	145.3
[M+NH4]+	180.13828	158.4
[M+K]+	201.06762	150.2
[M+H-H2O]+	145.10172	131.3
[M+HCOO]-	207.10266	154.3
[M+CH3COO]-	221.11831	206.8
[M+Na-2H]-	183.07913	146.6
[M]+	162.10391	138.1
[M]-	162.10501	138.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.