CID 136589279

2307778-35-2

Structural Information

Molecular Formula

C₁₁H₁₇N₃

SMILES

CC1=NC2=C(N1)CC[C@H]3[C@@H]2CCCN3

InChI

InChI=1S/C11H17N3/c1-7-13-10-5-4-9-8(11(10)14-7)3-2-6-12-9/h8-9,12H,2-6H2,1H3,(H,13,14)/t8-,9-/m0/s1

InChIKey

CAQAYUMAHGRIPK-IUCAKERBSA-N

Compound name

(5aS,9aS)-2-methyl-4,5,5a,6,7,8,9,9a-octahydro-3H-imidazo[4,5-f]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.14224 Da
Monoisotopic Mass: 1.1
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]+	192.149516	145.4
[M+Na]+	214.131458	151.8
[M-H]-	190.134964	143.1
[M+NH4]+	209.176063	163.4
[M+K]+	230.105398	146.5
[M+H-H2O]+	174.139500	137.6
[M+HCOO]-	236.140441	157.0
[M+CH3COO]-	250.156091	155.3
[M+Na-2H]-	212.116906	149.2
[M]+	191.14169142	137.3
[M]-	191.14278858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.