CID 15675896

27114-22-3

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

CNCC1=NC2=CC=CC=C2C=C1

InChI

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

InChIKey

IMBQFFXWWOONSK-UHFFFAOYSA-N

Compound name

N-methyl-1-quinolin-2-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
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]+	173.107326	134.9
[M+Na]+	195.089268	143.1
[M-H]-	171.092774	138.2
[M+NH4]+	190.133873	154.9
[M+K]+	211.063208	139.6
[M+H-H2O]+	155.097310	127.9
[M+HCOO]-	217.098251	158.6
[M+CH3COO]-	231.113901	148.4
[M+Na-2H]-	193.074716	145.2
[M]+	172.09950142	134.5
[M]-	172.10059858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe