CID 169552

Schembl18141140

Structural Information

Molecular Formula

C₂₀H₄₀O₄

SMILES

CCCCCCCCCCCCCCCCOCCOCC(=O)O

InChI

InChI=1S/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17-18-24-19-20(21)22/h2-19H2,1H3,(H,21,22)

InChIKey

NNDGDRQCWKEWCC-UHFFFAOYSA-N

Compound name

2-(2-hexadecoxyethoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 169
Patents: 344.29266 Da
Monoisotopic Mass: 7.3
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]+	345.299936	193.4
[M+Na]+	367.281878	194.2
[M-H]-	343.285384	189.5
[M+NH4]+	362.326483	206.0
[M+K]+	383.255818	191.3
[M+H-H2O]+	327.289920	185.9
[M+HCOO]-	389.290861	211.2
[M+CH3COO]-	403.306511	214.2
[M+Na-2H]-	365.267326	191.4
[M]+	344.29211142	202.6
[M]-	344.29320858	202.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe