CID 66060197

Schembl25808336

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	137.9
[M+Na]+	183.13555	147.1
[M+NH4]+	178.18015	145.1
[M+K]+	199.10949	142.0
[M-H]-	159.13905	136.3
[M+Na-2H]-	181.12100	140.7
[M]+	160.14578	138.6
[M]-	160.14688	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe