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

4
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]+	226.143766	152.2
[M+Na]+	248.125708	157.5
[M-H]-	224.129214	153.5
[M+NH4]+	243.170313	169.1
[M+K]+	264.099648	155.6
[M+H-H2O]+	208.133750	145.5
[M+HCOO]-	270.134691	174.3
[M+CH3COO]-	284.150341	190.1
[M+Na-2H]-	246.111156	155.5
[M]+	225.13594142	153.5
[M]-	225.13703858	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe