CID 30614

Ethylaminomethylbenzodioxan

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CCNCC1COC2=CC=CC=C2O1

InChI

InChI=1S/C11H15NO2/c1-2-12-7-9-8-13-10-5-3-4-6-11(10)14-9/h3-6,9,12H,2,7-8H2,1H3

InChIKey

YJPHXPWNPFQMGC-UHFFFAOYSA-N

Compound name

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 27
Patents: 193.11028 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]+	194.11756	141.3
[M+Na]+	216.09950	147.5
[M-H]-	192.10300	146.6
[M+NH4]+	211.14410	158.9
[M+K]+	232.07344	147.6
[M+H-H2O]+	176.10754	134.8
[M+HCOO]-	238.10848	161.8
[M+CH3COO]-	252.12413	185.6
[M+Na-2H]-	214.08495	151.0
[M]+	193.10973	141.6
[M]-	193.11083	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe