CID 21785722

(4-methylquinolin-2-yl)methanamine dihydrochloride

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

CC1=CC(=NC2=CC=CC=C12)CN

InChI

InChI=1S/C11H12N2/c1-8-6-9(7-12)13-11-5-3-2-4-10(8)11/h2-6H,7,12H2,1H3

InChIKey

FBSWGUXPHOSZAC-UHFFFAOYSA-N

Compound name

(4-methylquinolin-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 172.10005 Da
Monoisotopic Mass: 1.4
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]+	173.10733	135.8
[M+Na]+	195.08927	150.4
[M+NH4]+	190.13387	145.6
[M+K]+	211.06321	142.5
[M-H]-	171.09277	139.7
[M+Na-2H]-	193.07472	144.0
[M]+	172.09950	139.1
[M]-	172.10060	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe