CID 84732347

Ns00117014

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CC(CC1=C(C(=CC=C1)O)OC)N

InChI

InChI=1S/C10H15NO2/c1-7(11)6-8-4-3-5-9(12)10(8)13-2/h3-5,7,12H,6,11H2,1-2H3

InChIKey

PKIJOVMSOHJKHU-UHFFFAOYSA-N

Compound name

3-(2-aminopropyl)-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.11028 Da
Monoisotopic Mass: 1.3
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	139.5
[M+Na]+	204.09950	150.6
[M+NH4]+	199.14410	147.3
[M+K]+	220.07344	145.5
[M-H]-	180.10300	141.3
[M+Na-2H]-	202.08495	144.9
[M]+	181.10973	141.4
[M]-	181.11083	141.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.