CID 53219

Ethylamine, 2-((6-allyl-7-chloro-1,4-benzodioxan-5-yl)oxy)-n-methyl-, hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₈ClNO₃

SMILES

CNCCOC1=C2C(=CC(=C1CC=C)Cl)OCCO2

InChI

InChI=1S/C14H18ClNO3/c1-3-4-10-11(15)9-12-14(19-8-7-17-12)13(10)18-6-5-16-2/h3,9,16H,1,4-8H2,2H3

InChIKey

MXMHLJBRFRMYIK-UHFFFAOYSA-N

Compound name

2-[(7-chloro-6-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.09753 Da
Monoisotopic Mass: 2.9
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]+	284.104806	165.3
[M+Na]+	306.086748	173.0
[M-H]-	282.090254	170.6
[M+NH4]+	301.131353	180.6
[M+K]+	322.060688	170.5
[M+H-H2O]+	266.094790	159.2
[M+HCOO]-	328.095731	180.5
[M+CH3COO]-	342.111381	202.2
[M+Na-2H]-	304.072196	171.3
[M]+	283.09698142	170.3
[M]-	283.09807858	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.