CID 22008

5778-88-1

Structural Information

Molecular Formula

C₁₅H₁₈N₂

SMILES

CC1=C2C(=CC=C1)C(=C3CCCCCC3=N2)N

InChI

InChI=1S/C15H18N2/c1-10-6-5-8-12-14(16)11-7-3-2-4-9-13(11)17-15(10)12/h5-6,8H,2-4,7,9H2,1H3,(H2,16,17)

InChIKey

MEECPPYNNCTQCU-UHFFFAOYSA-N

Compound name

4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.147 Da
Monoisotopic Mass: 3.6
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]+	227.154276	150.0
[M+Na]+	249.136218	156.7
[M-H]-	225.139724	154.7
[M+NH4]+	244.180823	167.8
[M+K]+	265.110158	155.9
[M+H-H2O]+	209.144260	143.9
[M+HCOO]-	271.145201	168.1
[M+CH3COO]-	285.160851	161.4
[M+Na-2H]-	247.121666	156.3
[M]+	226.14645142	144.0
[M]-	226.14754858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.