PubChemLite - Arachidic acid (C20H40O2)

Structural Information

Molecular Formula

C₂₀H₄₀O₂

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)

InChIKey

VKOBVWXKNCXXDE-UHFFFAOYSA-N

Compound name

icosanoic acid

Related CIDs

2D Structure

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]+	313.31011	185.8
[M+Na]+	335.29205	192.7
[M+NH4]+	330.33665	190.9
[M+K]+	351.26599	184.5
[M-H]-	311.29555	183.8
[M+Na-2H]-	333.27750	185.3
[M]+	312.30228	185.9
[M]-	312.30338	185.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

313.31011

185.8

[M+Na]+

335.29205

192.7

[M+NH4]+

330.33665

190.9

[M+K]+

351.26599

184.5

[M-H]-

311.29555

183.8

[M+Na-2H]-

333.27750

185.3

[M]+

312.30228

185.9

[M]-

312.30338

185.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Arachidic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe