CID 3042043

Brn 1535666

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

COC1=C(C2=C(CNCC2)C3=C1CCC3)OC

InChI

InChI=1S/C14H19NO2/c1-16-13-10-5-3-4-9(10)12-8-15-7-6-11(12)14(13)17-2/h15H,3-8H2,1-2H3

InChIKey

FUGROHFALLWYDF-UHFFFAOYSA-N

Compound name

5,6-dimethoxy-2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 233.14159 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]+	234.14887	153.2
[M+Na]+	256.13081	164.8
[M+NH4]+	251.17541	162.5
[M+K]+	272.10475	159.5
[M-H]-	232.13431	155.1
[M+Na-2H]-	254.11626	156.3
[M]+	233.14104	155.3
[M]-	233.14214	155.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.