CID 83466

Acetaldehyde ethyl 3-methylbutyl acetal

Structural Information

Molecular Formula

C₉H₂₀O₂

SMILES

CCOCCOCCC(C)C

InChI

InChI=1S/C9H20O2/c1-4-10-7-8-11-6-5-9(2)3/h9H,4-8H2,1-3H3

InChIKey

UAQAIBRIVMSXFM-UHFFFAOYSA-N

Compound name

1-(2-ethoxyethoxy)-3-methylbutane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 47
Patents: 160.14633 Da
Monoisotopic Mass: 2.0
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]+	161.153606	139.2
[M+Na]+	183.135548	145.0
[M-H]-	159.139054	139.1
[M+NH4]+	178.180153	160.3
[M+K]+	199.109488	145.5
[M+H-H2O]+	143.143590	134.2
[M+HCOO]-	205.144531	161.6
[M+CH3COO]-	219.160181	181.1
[M+Na-2H]-	181.120996	143.5
[M]+	160.14578142	144.0
[M]-	160.14687858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe