CID 5283270

13-tetradecen-2,4-diyn-1-ol

Structural Information

Molecular Formula

C₁₄H₂₀O

SMILES

C=CCCCCCCCC#CC#CCO

InChI

InChI=1S/C14H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,15H,1,3-9,14H2

InChIKey

CENJVOWTHMJWMU-UHFFFAOYSA-N

Compound name

tetradec-13-en-2,4-diyn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 204.15141 Da
Monoisotopic Mass: 4.3
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]+	205.15869	154.8
[M+Na]+	227.14063	163.3
[M-H]-	203.14413	154.6
[M+NH4]+	222.18523	167.3
[M+K]+	243.11457	158.6
[M+H-H2O]+	187.14867	141.6
[M+HCOO]-	249.14961	163.2
[M+CH3COO]-	263.16526	210.4
[M+Na-2H]-	225.12608	155.5
[M]+	204.15086	148.0
[M]-	204.15196	148.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.