CID 24257269

Edma

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CC(CC1=CC2=C(C=C1)OCCO2)NC

InChI

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

InChIKey

UJKWLAZYSLJTKA-UHFFFAOYSA-N

Compound name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 3255
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]+	208.133206	147.0
[M+Na]+	230.115148	152.5
[M-H]-	206.118654	152.2
[M+NH4]+	225.159753	164.0
[M+K]+	246.089088	152.8
[M+H-H2O]+	190.123190	140.4
[M+HCOO]-	252.124131	166.2
[M+CH3COO]-	266.139781	189.5
[M+Na-2H]-	228.100596	154.9
[M]+	207.12538142	147.0
[M]-	207.12647858	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe