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

2
Annotation Hits: 0
References: 20
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]+	189.184906	149.1
[M+Na]+	211.166848	153.6
[M-H]-	187.170354	148.7
[M+NH4]+	206.211453	168.9
[M+K]+	227.140788	154.4
[M+H-H2O]+	171.174890	143.8
[M+HCOO]-	233.175831	168.7
[M+CH3COO]-	247.191481	188.8
[M+Na-2H]-	209.152296	149.7
[M]+	188.17708142	153.2
[M]-	188.17817858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe