CID 6483903

179873-36-0

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

CNCC1=CC2=C(C=C1)N=CC=C2

InChI

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

InChIKey

IIPNTNDPIZNFRU-UHFFFAOYSA-N

Compound name

N-methyl-1-quinolin-6-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 172.10005 Da
Monoisotopic Mass: 1.6
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]+	173.10733	135.8
[M+Na]+	195.08927	150.4
[M+NH4]+	190.13387	145.8
[M+K]+	211.06321	142.1
[M-H]-	171.09277	139.9
[M+Na-2H]-	193.07472	144.8
[M]+	172.09950	139.2
[M]-	172.10060	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe