CID 79753

Acetaldehyde di-isobutylacetal

Structural Information

Molecular Formula

C₁₀H₂₂O₂

SMILES

CC(C)COC(C)OCC(C)C

InChI

InChI=1S/C10H22O2/c1-8(2)6-11-10(5)12-7-9(3)4/h8-10H,6-7H2,1-5H3

InChIKey

KIELJSVPUISYCI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 155
Patents: 174.16199 Da
Monoisotopic Mass: 3.1
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]+	175.16927	142.4
[M+Na]+	197.15121	151.3
[M+NH4]+	192.19581	149.7
[M+K]+	213.12515	146.9
[M-H]-	173.15471	141.3
[M+Na-2H]-	195.13666	144.6
[M]+	174.16144	143.1
[M]-	174.16254	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe