CID 13147009

2-propanol, 1-butoxy-3-(dimethylamino)-

Structural Information

Molecular Formula

C₉H₂₁NO₂

SMILES

CCCCOCC(CN(C)C)O

InChI

InChI=1S/C9H21NO2/c1-4-5-6-12-8-9(11)7-10(2)3/h9,11H,4-8H2,1-3H3

InChIKey

SDWZQKKODUFTEY-UHFFFAOYSA-N

Compound name

1-butoxy-3-(dimethylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 471
Patents: 175.15723 Da
Monoisotopic Mass: 0.7
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]+	176.16451	142.1
[M+Na]+	198.14645	150.1
[M+NH4]+	193.19105	149.1
[M+K]+	214.12039	145.5
[M-H]-	174.14995	141.4
[M+Na-2H]-	196.13190	144.4
[M]+	175.15668	142.7
[M]-	175.15778	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe