Quinamine (C19H24N2O2)

Structural Information

Molecular Formula

SMILES

C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@]34[C@@](CCO3)(C5=CC=CC=C5N4)O

InChI

InChI=1S/C19H24N2O2/c1-2-13-12-21-9-7-14(13)11-17(21)19-18(22,8-10-23-19)15-5-3-4-6-16(15)20-19/h2-6,13-14,17,20,22H,1,7-12H2/t13-,14-,17-,18+,19-/m0/s1

InChIKey

ALNKTVLUDWIWIH-HLQCWHFUSA-N

Compound name

(3aS,8bR)-3a-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-2,4-dihydro-1H-furo[2,3-b]indol-8b-ol

Related CIDs

2D Structure

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]+	313.191056	166.3
[M+Na]+	335.172998	171.1
[M-H]-	311.176504	163.2
[M+NH4]+	330.217603	188.6
[M+K]+	351.146938	164.8
[M+H-H2O]+	295.181040	158.0
[M+HCOO]-	357.181981	168.6
[M+CH3COO]-	371.197631	173.6
[M+Na-2H]-	333.158446	171.3
[M]+	312.18323142	164.1
[M]-	312.18432858	164.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

313.191056

166.3

[M+Na]+

335.172998

171.1

[M-H]-

311.176504

163.2

[M+NH4]+

330.217603

188.6

[M+K]+

351.146938

164.8

[M+H-H2O]+

295.181040

158.0

[M+HCOO]-

357.181981

168.6

[M+CH3COO]-

371.197631

173.6

[M+Na-2H]-

333.158446

171.3

[M]+

312.18323142

164.1

[M]-

312.18432858

164.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Quinamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe