CID 53428112

253679-74-2

Structural Information

Molecular Formula

C₁₁H₂₄O₂

SMILES

CCOC(C(C)C)OCCC(C)C

InChI

InChI=1S/C11H24O2/c1-6-12-11(10(4)5)13-8-7-9(2)3/h9-11H,6-8H2,1-5H3

InChIKey

GHDJSUFLQIZAGW-UHFFFAOYSA-N

Compound name

1-(1-ethoxy-2-methylpropoxy)-3-methylbutane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 188.17763 Da
Monoisotopic Mass: 3.5
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]+	189.18491	146.8
[M+Na]+	211.16685	155.5
[M+NH4]+	206.21145	153.9
[M+K]+	227.14079	150.8
[M-H]-	187.17035	145.7
[M+Na-2H]-	209.15230	148.7
[M]+	188.17708	147.5
[M]-	188.17818	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe