CID 85242

16024-66-1

Structural Information

Molecular Formula

C₁₁H₂₂O₇

SMILES

COCCOCCOCCOCCOCC(=O)O

InChI

InChI=1S/C11H22O7/c1-14-2-3-15-4-5-16-6-7-17-8-9-18-10-11(12)13/h2-10H2,1H3,(H,12,13)

InChIKey

DDTZAHIJJCRGFT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 266.13657 Da
Monoisotopic Mass: -0.9
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]+	267.143846	159.1
[M+Na]+	289.125788	163.3
[M-H]-	265.129294	156.8
[M+NH4]+	284.170393	174.6
[M+K]+	305.099728	164.3
[M+H-H2O]+	249.133830	152.5
[M+HCOO]-	311.134771	180.5
[M+CH3COO]-	325.150421	193.6
[M+Na-2H]-	287.111236	162.2
[M]+	266.13602142	169.2
[M]-	266.13711858	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe