CID 78168069

9025-13-2

Structural Information

Molecular Formula

C₂₀H₃₀O₂

SMILES

C#CC(C=CCCCCCCCCCCC=CC(C#C)O)O

InChI

InChI=1S/C20H30O2/c1-3-19(21)17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(22)4-2/h1-2,15-22H,5-14H2

InChIKey

JVVMUHJDTNMVHZ-UHFFFAOYSA-N

Compound name

icosa-4,16-dien-1,19-diyne-3,18-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 81
References: 0
Patents: 302.22458 Da
Monoisotopic Mass: 5.4
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]+	303.231856	177.5
[M+Na]+	325.213798	183.7
[M-H]-	301.217304	175.7
[M+NH4]+	320.258403	186.7
[M+K]+	341.187738	178.1
[M+H-H2O]+	285.221840	163.7
[M+HCOO]-	347.222781	182.5
[M+CH3COO]-	361.238431	222.2
[M+Na-2H]-	323.199246	173.8
[M]+	302.22403142	170.4
[M]-	302.22512858	170.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.