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

2
Annotation Hits: 0
References: 1053
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]+	189.148526	145.3
[M+Na]+	211.130468	151.0
[M-H]-	187.133974	145.0
[M+NH4]+	206.175073	165.2
[M+K]+	227.104408	151.0
[M+H-H2O]+	171.138510	139.9
[M+HCOO]-	233.139451	167.8
[M+CH3COO]-	247.155101	184.5
[M+Na-2H]-	209.115916	149.0
[M]+	188.14070142	151.1
[M]-	188.14179858	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe