CID 111016

7584-76-1

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

COCCNCC(COC1=CC=CC=C1)O

InChI

InChI=1S/C12H19NO3/c1-15-8-7-13-9-11(14)10-16-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3

InChIKey

VDNNHBMWPQQUCI-UHFFFAOYSA-N

Compound name

1-(2-methoxyethylamino)-3-phenoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 225.13649 Da
Monoisotopic Mass: 0.8
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]+	226.14377	151.8
[M+Na]+	248.12571	156.1
[M-H]-	224.12921	153.3
[M+NH4]+	243.17031	168.7
[M+K]+	264.09965	154.6
[M+H-H2O]+	208.13375	144.8
[M+HCOO]-	270.13469	174.6
[M+CH3COO]-	284.15034	189.5
[M+Na-2H]-	246.11116	156.9
[M]+	225.13594	153.8
[M]-	225.13704	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe