CID 4049161

53563-70-5

Structural Information

Molecular Formula

C₁₂H₂₄O₄

SMILES

CCCCCCCCOCCOCC(=O)O

InChI

InChI=1S/C12H24O4/c1-2-3-4-5-6-7-8-15-9-10-16-11-12(13)14/h2-11H2,1H3,(H,13,14)

InChIKey

ICDFAVDDYZOXIU-UHFFFAOYSA-N

Compound name

2-(2-octoxyethoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 17
Patents: 232.16747 Da
Monoisotopic Mass: 2.9
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]+	233.17475	157.5
[M+Na]+	255.15669	161.8
[M-H]-	231.16019	155.2
[M+NH4]+	250.20129	174.7
[M+K]+	271.13063	160.8
[M+H-H2O]+	215.16473	151.6
[M+HCOO]-	277.16567	178.0
[M+CH3COO]-	291.18132	190.4
[M+Na-2H]-	253.14214	159.7
[M]+	232.16692	163.7
[M]-	232.16802	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe