CID 57347853

Diisopentyl acetal propane

Structural Information

Molecular Formula

C₁₄H₃₀O₂

SMILES

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

InChI

InChI=1S/C14H30O2/c1-11(2)7-9-15-14(13(5)6)16-10-8-12(3)4/h11-14H,7-10H2,1-6H3

InChIKey

LLPRPPREEWFLJD-UHFFFAOYSA-N

Compound name

3-methyl-1-[2-methyl-1-(3-methylbutoxy)propoxy]butane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 230.22458 Da
Monoisotopic Mass: 4.8
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]+	231.23186	160.1
[M+Na]+	253.21380	167.7
[M+NH4]+	248.25840	166.5
[M+K]+	269.18774	163.2
[M-H]-	229.21730	158.6
[M+Na-2H]-	251.19925	160.8
[M]+	230.22403	160.5
[M]-	230.22513	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe