CID 292514

Butyl butoxyacetate

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CCCCOCC(=O)OCCCC

InChI

InChI=1S/C10H20O3/c1-3-5-7-12-9-10(11)13-8-6-4-2/h3-9H2,1-2H3

InChIKey

URBZEXMYYYABCQ-UHFFFAOYSA-N

Compound name

butyl 2-butoxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1316
Patents: 188.14125 Da
Monoisotopic Mass: 2.5
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]+	189.14853	144.4
[M+Na]+	211.13047	153.5
[M+NH4]+	206.17507	151.0
[M+K]+	227.10441	147.9
[M-H]-	187.13397	142.9
[M+Na-2H]-	209.11592	146.7
[M]+	188.14070	145.0
[M]-	188.14180	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe