CID 16076149

2,6-nonadecadiynoic acid

Structural Information

Molecular Formula

C₁₉H₃₀O₂

SMILES

CCCCCCCCCCCCC#CCCC#CC(=O)O

InChI

InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-12,15-16H2,1H3,(H,20,21)

InChIKey

RDQMWOCSAPSMNK-UHFFFAOYSA-N

Compound name

nonadeca-2,6-diynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 290.22458 Da
Monoisotopic Mass: 7.6
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]+	291.231856	171.1
[M+Na]+	313.213798	178.0
[M-H]-	289.217304	170.3
[M+NH4]+	308.258403	181.4
[M+K]+	329.187738	173.2
[M+H-H2O]+	273.221840	157.2
[M+HCOO]-	335.222781	177.9
[M+CH3COO]-	349.238431	221.2
[M+Na-2H]-	311.199246	169.3
[M]+	290.22403142	165.9
[M]-	290.22512858	165.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.