CID 20749347

784078-63-3

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CNC1CCC2=CC(=C(C=C12)OC)OC

InChI

InChI=1S/C12H17NO2/c1-13-10-5-4-8-6-11(14-2)12(15-3)7-9(8)10/h6-7,10,13H,4-5H2,1-3H3

InChIKey

KEYPMNRVHLLDQF-UHFFFAOYSA-N

Compound name

5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 207.12593 Da
Monoisotopic Mass: 1.7
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	144.8
[M+Na]+	230.11515	153.1
[M-H]-	206.11865	149.7
[M+NH4]+	225.15975	167.0
[M+K]+	246.08909	151.0
[M+H-H2O]+	190.12319	139.2
[M+HCOO]-	252.12413	169.0
[M+CH3COO]-	266.13978	190.4
[M+Na-2H]-	228.10060	149.6
[M]+	207.12538	147.2
[M]-	207.12648	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe