CID 85994440

75427-76-8

Structural Information

Molecular Formula

C₁₀H₂₀O₅

SMILES

CCCCOCCOCCOCC(=O)O

InChI

InChI=1S/C10H20O5/c1-2-3-4-13-5-6-14-7-8-15-9-10(11)12/h2-9H2,1H3,(H,11,12)

InChIKey

UUDGIIFVQITGGK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 220.13107 Da
Monoisotopic Mass: 0.6
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]+	221.13835	150.7
[M+Na]+	243.12029	155.6
[M-H]-	219.12379	148.7
[M+NH4]+	238.16489	168.3
[M+K]+	259.09423	155.7
[M+H-H2O]+	203.12833	144.9
[M+HCOO]-	265.12927	172.0
[M+CH3COO]-	279.14492	186.5
[M+Na-2H]-	241.10574	154.0
[M]+	220.13052	157.5
[M]-	220.13162	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe