CID 15083

Brn 1346437

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CN(C)CCC1COC2=CC=CC=C2O1

InChI

InChI=1S/C12H17NO2/c1-13(2)8-7-10-9-14-11-5-3-4-6-12(11)15-10/h3-6,10H,7-9H2,1-2H3

InChIKey

PNYSVKJKNJNGPF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.12593 Da
Monoisotopic Mass: 2.1
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]+	208.13321	146.6
[M+Na]+	230.11515	152.5
[M-H]-	206.11865	153.2
[M+NH4]+	225.15975	164.3
[M+K]+	246.08909	153.8
[M+H-H2O]+	190.12319	139.7
[M+HCOO]-	252.12413	167.3
[M+CH3COO]-	266.13978	192.1
[M+Na-2H]-	228.10060	154.9
[M]+	207.12538	148.5
[M]-	207.12648	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe