CID 10105079

74027-60-4

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

COCCC1=CC=C(C=C1)OCC(CN)O

InChI

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

InChIKey

XJWXVDJGNOHFLR-UHFFFAOYSA-N

Compound name

1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 5
Patents: 225.13649 Da
Monoisotopic Mass: 0.6
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]+	226.14377	151.8
[M+Na]+	248.12571	161.6
[M+NH4]+	243.17031	158.6
[M+K]+	264.09965	156.4
[M-H]-	224.12921	152.9
[M+Na-2H]-	246.11116	156.4
[M]+	225.13594	153.2
[M]-	225.13704	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe