CID 106312

82941-26-2

Structural Information

Molecular Formula

C₈H₁₆O₄

SMILES

CCCCOCCOCC(=O)O

InChI

InChI=1S/C8H16O4/c1-2-3-4-11-5-6-12-7-8(9)10/h2-7H2,1H3,(H,9,10)

InChIKey

MCORDGVZLPBVJB-UHFFFAOYSA-N

Compound name

2-(2-butoxyethoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 899
Patents: 176.10486 Da
Monoisotopic Mass: 0.8
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]+	177.11214	139.2
[M+Na]+	199.09408	145.1
[M-H]-	175.09758	137.6
[M+NH4]+	194.13868	158.6
[M+K]+	215.06802	145.2
[M+H-H2O]+	159.10212	134.0
[M+HCOO]-	221.10306	161.0
[M+CH3COO]-	235.11871	178.4
[M+Na-2H]-	197.07953	143.4
[M]+	176.10431	143.8
[M]-	176.10541	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe