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	188.2
[M+Na]+	335.29205	189.2
[M-H]-	311.29555	184.5
[M+NH4]+	330.33665	202.3
[M+K]+	351.26599	185.2
[M+H-H2O]+	295.30009	181.3
[M+HCOO]-	357.30103	205.6
[M+CH3COO]-	371.31668	210.4
[M+Na-2H]-	333.27750	186.0
[M]+	312.30228	194.5
[M]-	312.30338	194.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

313.31011

188.2

[M+Na]+

335.29205

189.2

[M-H]-

311.29555

184.5

[M+NH4]+

330.33665

202.3

[M+K]+

351.26599

185.2

[M+H-H2O]+

295.30009

181.3

[M+HCOO]-

357.30103

205.6

[M+CH3COO]-

371.31668

210.4

[M+Na-2H]-

333.27750

186.0

[M]+

312.30228

194.5

[M]-

312.30338

194.5

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