CID 66060197

Refchem:440934

Structural Information

Molecular Formula

C₉H₂₀O₂

SMILES

CCC(CC)(CCOC)CO

InChI

InChI=1S/C9H20O2/c1-4-9(5-2,8-10)6-7-11-3/h10H,4-8H2,1-3H3

InChIKey

OXJZDXHOYSLVLL-UHFFFAOYSA-N

Compound name

2,2-diethyl-4-methoxybutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 160.14633 Da
Monoisotopic Mass: 1.7
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]+	161.15361	139.5
[M+Na]+	183.13555	145.5
[M-H]-	159.13905	138.1
[M+NH4]+	178.18015	160.1
[M+K]+	199.10949	145.0
[M+H-H2O]+	143.14359	135.3
[M+HCOO]-	205.14453	159.8
[M+CH3COO]-	219.16018	177.9
[M+Na-2H]-	181.12100	145.1
[M]+	160.14578	142.5
[M]-	160.14688	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe