CID 129774385

8,10-dimethoxy-octadecanoic acid

Structural Information

Molecular Formula

C₂₀H₄₀O₄

SMILES

CCCCCCCCC(CC(CCCCCCC(=O)O)OC)OC

InChI

InChI=1S/C20H40O4/c1-4-5-6-7-8-11-14-18(23-2)17-19(24-3)15-12-9-10-13-16-20(21)22/h18-19H,4-17H2,1-3H3,(H,21,22)

InChIKey

RGPGJWBMNOHCDK-UHFFFAOYSA-N

Compound name

8,10-dimethoxyoctadecanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 344.29266 Da
Monoisotopic Mass: 6.0
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]+	345.29994	195.0
[M+Na]+	367.28188	195.5
[M-H]-	343.28538	191.3
[M+NH4]+	362.32648	207.5
[M+K]+	383.25582	193.5
[M+H-H2O]+	327.28992	187.8
[M+HCOO]-	389.29086	210.8
[M+CH3COO]-	403.30651	215.8
[M+Na-2H]-	365.26733	190.4
[M]+	344.29211	202.8
[M]-	344.29321	202.8

Literature stripe

literature stripe

Patent stripe

patents stripe