CID 604519

Ipidacrine

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

C1CCC2=C(C1)C(=C3CCCC3=N2)N

InChI

InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)

InChIKey

YLUSMKAJIQOXPV-UHFFFAOYSA-N

Compound name

2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 130
References: 1222
Patents: 188.13135 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]+	189.13863	140.4
[M+Na]+	211.12057	147.3
[M-H]-	187.12407	143.5
[M+NH4]+	206.16517	162.3
[M+K]+	227.09451	143.2
[M+H-H2O]+	171.12861	133.7
[M+HCOO]-	233.12955	159.3
[M+CH3COO]-	247.14520	152.7
[M+Na-2H]-	209.10602	145.6
[M]+	188.13080	135.0
[M]-	188.13190	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe