CID 19963983

13002-11-4

Structural Information

Molecular Formula

C₁₁H₂₄O₂

SMILES

CCC(OCC(C)C)OCC(C)C

InChI

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

InChIKey

USYFLBOYMYXIBN-UHFFFAOYSA-N

Compound name

2-methyl-1-[1-(2-methylpropoxy)propoxy]propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 188.17763 Da
Monoisotopic Mass: 3.6
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	149.1
[M+Na]+	211.16685	153.6
[M-H]-	187.17035	148.7
[M+NH4]+	206.21145	168.9
[M+K]+	227.14079	154.4
[M+H-H2O]+	171.17489	143.8
[M+HCOO]-	233.17583	168.7
[M+CH3COO]-	247.19148	188.8
[M+Na-2H]-	209.15230	149.7
[M]+	188.17708	153.2
[M]-	188.17818	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe