CID 46189182

1-{benzo[h]quinolin-2-yl}methanamine hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₂N₂

SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(C=C3)CN

InChI

InChI=1S/C14H12N2/c15-9-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)16-12/h1-8H,9,15H2

InChIKey

DTWJGAQTCZPPJI-UHFFFAOYSA-N

Compound name

benzo[h]quinolin-2-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 59
Patents: 208.10005 Da
Monoisotopic Mass: 2.3
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]+	209.10733	143.8
[M+Na]+	231.08927	160.8
[M+NH4]+	226.13387	154.5
[M+K]+	247.06321	151.3
[M-H]-	207.09277	149.1
[M+Na-2H]-	229.07472	153.6
[M]+	208.09950	148.0
[M]-	208.10060	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe