CID 24212

7562-63-2

Structural Information

Molecular Formula

C₁₅H₂₃NO₄

SMILES

CC(C(C1COC2=CC=CC=C2O1)O)NCCCOC

InChI

InChI=1S/C15H23NO4/c1-11(16-8-5-9-18-2)15(17)14-10-19-12-6-3-4-7-13(12)20-14/h3-4,6-7,11,14-17H,5,8-10H2,1-2H3

InChIKey

ZUQDCUZODWHXBZ-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3-methoxypropylamino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 281.16272 Da
Monoisotopic Mass: 1.3
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]+	282.169996	167.7
[M+Na]+	304.151938	170.8
[M-H]-	280.155444	170.8
[M+NH4]+	299.196543	180.6
[M+K]+	320.125878	171.3
[M+H-H2O]+	264.159980	160.3
[M+HCOO]-	326.160921	183.6
[M+CH3COO]-	340.176571	201.4
[M+Na-2H]-	302.137386	172.3
[M]+	281.16217142	169.1
[M]-	281.16326858	169.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe