CID 30657

21489-50-9

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

COC1=C(C2=C(CC(CC2)N)C=C1)OC

InChI

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

InChIKey

BDHOUGWYKHSPIX-UHFFFAOYSA-N

Compound name

5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 207.12593 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]+	208.13321	144.7
[M+Na]+	230.11515	156.9
[M+NH4]+	225.15975	153.9
[M+K]+	246.08909	150.2
[M-H]-	206.11865	148.1
[M+Na-2H]-	228.10060	150.2
[M]+	207.12538	147.3
[M]-	207.12648	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe