CID 2733725

68208-24-2

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

COC1=CC=C(C=C1)C(CCO)N

InChI

InChI=1S/C10H15NO2/c1-13-9-4-2-8(3-5-9)10(11)6-7-12/h2-5,10,12H,6-7,11H2,1H3

InChIKey

WHWMCHUIUINGOD-UHFFFAOYSA-N

Compound name

3-amino-3-(4-methoxyphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 181.11028 Da
Monoisotopic Mass: 0.5
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]+	182.11756	139.8
[M+Na]+	204.09950	150.5
[M+NH4]+	199.14410	147.5
[M+K]+	220.07344	145.2
[M-H]-	180.10300	141.5
[M+Na-2H]-	202.08495	145.4
[M]+	181.10973	141.6
[M]-	181.11083	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe