CID 3044675

Brn 1535667

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

COC1=C(C2=C(CCNC2)C3=C1CCC3)OC

InChI

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

InChIKey

HVRQOIUHAQSUQE-UHFFFAOYSA-N

Compound name

5,6-dimethoxy-2,3,4,7,8,9-hexahydro-1H-cyclopenta[f]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]+	234.148866	153.2
[M+Na]+	256.130808	160.3
[M-H]-	232.134314	155.4
[M+NH4]+	251.175413	173.3
[M+K]+	272.104748	156.4
[M+H-H2O]+	216.138850	146.8
[M+HCOO]-	278.139791	169.8
[M+CH3COO]-	292.155441	164.7
[M+Na-2H]-	254.116256	156.7
[M]+	233.14104142	151.5
[M]-	233.14213858	151.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.