CID 2834364

67193-95-7

Structural Information

Molecular Formula

C₁₄H₂₃NO₂

SMILES

CCC1=CC=C(C=C1)OCC(CNC(C)C)O

InChI

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

InChIKey

OMSWREDBGOSTLF-UHFFFAOYSA-N

Compound name

1-(4-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 181
Patents: 237.17288 Da
Monoisotopic Mass: 2.6
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	158.6
[M+Na]+	260.16210	162.9
[M-H]-	236.16560	160.2
[M+NH4]+	255.20670	175.4
[M+K]+	276.13604	160.8
[M+H-H2O]+	220.17014	151.9
[M+HCOO]-	282.17108	179.4
[M+CH3COO]-	296.18673	195.6
[M+Na-2H]-	258.14755	160.6
[M]+	237.17233	159.6
[M]-	237.17343	159.6

Literature stripe

literature stripe

Patent stripe

patents stripe