CID 533955

2176-14-9

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

COC1=CC(=CC(=C1O)OC)CCN

InChI

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

InChIKey

ISVPPMXWQFCRSS-UHFFFAOYSA-N

Compound name

4-(2-aminoethyl)-2,6-dimethoxyphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 57
Patents: 197.1052 Da
Monoisotopic Mass: 1.0
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	153.4
[M+NH4]+	215.13902	149.4
[M+K]+	236.06836	148.2
[M-H]-	196.09792	143.6
[M+Na-2H]-	218.07987	147.1
[M]+	197.10465	143.9
[M]-	197.10575	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe