CID 3023575

2-butoxyethyl isobutyrate

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CCCCOCCOC(=O)C(C)C

InChI

InChI=1S/C10H20O3/c1-4-5-6-12-7-8-13-10(11)9(2)3/h9H,4-8H2,1-3H3

InChIKey

MTMWBRRXQJCYSM-UHFFFAOYSA-N

Compound name

2-butoxyethyl 2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 188.14125 Da
Monoisotopic Mass: 2.3
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	145.6
[M+Na]+	211.13047	151.1
[M-H]-	187.13397	145.4
[M+NH4]+	206.17507	165.5
[M+K]+	227.10441	151.6
[M+H-H2O]+	171.13851	140.4
[M+HCOO]-	233.13945	167.1
[M+CH3COO]-	247.15510	185.3
[M+Na-2H]-	209.11592	148.1
[M]+	188.14070	150.8
[M]-	188.14180	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe