CID 201409

530-34-7

Structural Information

Molecular Formula

C₁₆H₁₉NO₃

SMILES

COC1=CC=C(C=C1)C(C(C2=CC=C(C=C2)OC)O)N

InChI

InChI=1S/C16H19NO3/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15-16,18H,17H2,1-2H3

InChIKey

DUEBHXGFCXXGHK-UHFFFAOYSA-N

Compound name

2-amino-1,2-bis(4-methoxyphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1073
Patents: 273.1365 Da
Monoisotopic Mass: 1.6
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]+	274.143776	163.9
[M+Na]+	296.125718	169.3
[M-H]-	272.129224	168.7
[M+NH4]+	291.170323	178.6
[M+K]+	312.099658	166.6
[M+H-H2O]+	256.133760	156.1
[M+HCOO]-	318.134701	185.1
[M+CH3COO]-	332.150351	200.1
[M+Na-2H]-	294.111166	165.8
[M]+	273.13595142	163.9
[M]-	273.13704858	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe