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

2
Annotation Hits: 0
References: 440
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]+	176.164506	144.0
[M+Na]+	198.146448	148.6
[M-H]-	174.149954	143.8
[M+NH4]+	193.191053	164.1
[M+K]+	214.120388	149.5
[M+H-H2O]+	158.154490	138.4
[M+HCOO]-	220.155431	166.3
[M+CH3COO]-	234.171081	186.7
[M+Na-2H]-	196.131896	147.1
[M]+	175.15668142	147.2
[M]-	175.15777858	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe