CID 201044

3141-77-3

Structural Information

Molecular Formula

C₁₄H₂₃NO₂

SMILES

CCN(CC)CC(COCC1=CC=CC=C1)O

InChI

InChI=1S/C14H23NO2/c1-3-15(4-2)10-14(16)12-17-11-13-8-6-5-7-9-13/h5-9,14,16H,3-4,10-12H2,1-2H3

InChIKey

UOYRJVKPVYRABC-UHFFFAOYSA-N

Compound name

1-(diethylamino)-3-phenylmethoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 237.17288 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]+	238.18016	158.7
[M+Na]+	260.16210	162.5
[M-H]-	236.16560	161.3
[M+NH4]+	255.20670	175.9
[M+K]+	276.13604	161.3
[M+H-H2O]+	220.17014	151.5
[M+HCOO]-	282.17108	181.1
[M+CH3COO]-	296.18673	197.0
[M+Na-2H]-	258.14755	161.9
[M]+	237.17233	161.3
[M]-	237.17343	161.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.