CID 12463601

20858-25-7

Structural Information

Molecular Formula

C₂₀H₄₀O₆

SMILES

CCCCCCCCCCCCOCCOCCOCCOCC(=O)O

InChI

InChI=1S/C20H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-13-14-24-15-16-25-17-18-26-19-20(21)22/h2-19H2,1H3,(H,21,22)

InChIKey

VXWLNXGYIWKCDK-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 20
Patents: 376.2825 Da
Monoisotopic Mass: 4.8
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]+	377.289776	197.5
[M+Na]+	399.271718	198.1
[M-H]-	375.275224	193.5
[M+NH4]+	394.316323	203.8
[M+K]+	415.245658	196.3
[M+H-H2O]+	359.279760	189.5
[M+HCOO]-	421.280701	216.0
[M+CH3COO]-	435.296351	218.0
[M+Na-2H]-	397.257166	195.8
[M]+	376.28195142	209.6
[M]-	376.28304858	209.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe