CID 44559361

13062-71-0

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

COC1=CC(=CC(=C1OC)O)CCN

InChI

InChI=1S/C10H15NO3/c1-13-9-6-7(3-4-11)5-8(12)10(9)14-2/h5-6,12H,3-4,11H2,1-2H3

InChIKey

PDKPJPTZKPCMKR-UHFFFAOYSA-N

Compound name

5-(2-aminoethyl)-2,3-dimethoxyphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 5
Patents: 197.1052 Da
Monoisotopic Mass: 0.4
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]+	198.11248	142.0
[M+Na]+	220.09442	150.3
[M-H]-	196.09792	144.4
[M+NH4]+	215.13902	160.8
[M+K]+	236.06836	148.5
[M+H-H2O]+	180.10246	136.1
[M+HCOO]-	242.10340	165.7
[M+CH3COO]-	256.11905	185.7
[M+Na-2H]-	218.07987	146.2
[M]+	197.10465	144.1
[M]-	197.10575	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe