CID 10422039

11z-hexadecen-7,9-diynoic acid

Structural Information

Molecular Formula

C₁₆H₂₂O₂

SMILES

CCCC/C=C\C#CC#CCCCCCC(=O)O

InChI

InChI=1S/C16H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,11-15H2,1H3,(H,17,18)/b6-5-

InChIKey

ZYKRBUYXWXJLBD-WAYWQWQTSA-N

Compound name

(Z)-hexadec-11-en-7,9-diynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 246.16199 Da
Monoisotopic Mass: 4.8
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]+	247.16927	164.2
[M+Na]+	269.15121	172.1
[M-H]-	245.15471	163.7
[M+NH4]+	264.19581	175.5
[M+K]+	285.12515	167.3
[M+H-H2O]+	229.15925	150.6
[M+HCOO]-	291.16019	171.7
[M+CH3COO]-	305.17584	214.9
[M+Na-2H]-	267.13666	163.2
[M]+	246.16144	157.7
[M]-	246.16254	157.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.