CID 18709

3308-62-1

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CN(C)CCOC1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C12H17NO3/c1-13(2)5-6-14-10-3-4-11-12(9-10)16-8-7-15-11/h3-4,9H,5-8H2,1-2H3

InChIKey

OJGJXMSSGWKXEV-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 70
References: 1
Patents: 223.12085 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]+	224.12813	149.5
[M+Na]+	246.11007	155.3
[M-H]-	222.11357	156.1
[M+NH4]+	241.15467	166.5
[M+K]+	262.08401	157.1
[M+H-H2O]+	206.11811	142.4
[M+HCOO]-	268.11905	170.4
[M+CH3COO]-	282.13470	194.2
[M+Na-2H]-	244.09552	157.9
[M]+	223.12030	152.8
[M]-	223.12140	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe