CID 3438622

96165-86-5

Structural Information

Molecular Formula

C₁₄H₁₇NO₂

SMILES

COC1=C(C=C2C(=C1)CCN3C2=CCC3)OC

InChI

InChI=1S/C14H17NO2/c1-16-13-8-10-5-7-15-6-3-4-12(15)11(10)9-14(13)17-2/h4,8-9H,3,5-7H2,1-2H3

InChIKey

FSOLZHFKZVHCCX-UHFFFAOYSA-N

Compound name

8,9-dimethoxy-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.12593 Da
Monoisotopic Mass: 2.6
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]+	232.133206	151.5
[M+Na]+	254.115148	160.1
[M-H]-	230.118654	155.5
[M+NH4]+	249.159753	172.4
[M+K]+	270.089088	156.8
[M+H-H2O]+	214.123190	144.7
[M+HCOO]-	276.124131	171.0
[M+CH3COO]-	290.139781	164.2
[M+Na-2H]-	252.100596	156.4
[M]+	231.12538142	153.1
[M]-	231.12647858	153.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.