CID 40359

Brn 1432056

Structural Information

Molecular Formula

C₁₄H₂₁NO₄

SMILES

CC1(OC2=CC=CC=C2O1)CCN(CCO)CCO

InChI

InChI=1S/C14H21NO4/c1-14(6-7-15(8-10-16)9-11-17)18-12-4-2-3-5-13(12)19-14/h2-5,16-17H,6-11H2,1H3

InChIKey

CNGILMOYYWKPBU-UHFFFAOYSA-N

Compound name

2-[2-hydroxyethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 267.14706 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]+	268.154336	161.8
[M+Na]+	290.136278	167.5
[M-H]-	266.139784	165.7
[M+NH4]+	285.180883	179.3
[M+K]+	306.110218	167.6
[M+H-H2O]+	250.144320	156.2
[M+HCOO]-	312.145261	181.2
[M+CH3COO]-	326.160911	196.4
[M+Na-2H]-	288.121726	168.1
[M]+	267.14651142	166.0
[M]-	267.14760858	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe