CID 98336

73120-83-9

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CN(CCO)CC1COC2=CC=CC=C2O1

InChI

InChI=1S/C12H17NO3/c1-13(6-7-14)8-10-9-15-11-4-2-3-5-12(11)16-10/h2-5,10,14H,6-9H2,1H3

InChIKey

NUOABGIIYNJJBX-UHFFFAOYSA-N

Compound name

2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.12085 Da
Monoisotopic Mass: 1.1
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]+	224.128126	149.9
[M+Na]+	246.110068	155.2
[M-H]-	222.113574	155.0
[M+NH4]+	241.154673	166.1
[M+K]+	262.084008	156.1
[M+H-H2O]+	206.118110	143.0
[M+HCOO]-	268.119051	169.2
[M+CH3COO]-	282.134701	191.7
[M+Na-2H]-	244.095516	157.8
[M]+	223.12030142	151.3
[M]-	223.12139858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.