CID 12300696

2-methylquinolin-3-amine

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

CC1=NC2=CC=CC=C2C=C1N

InChI

InChI=1S/C10H10N2/c1-7-9(11)6-8-4-2-3-5-10(8)12-7/h2-6H,11H2,1H3

InChIKey

SCOYSIILKQNHRZ-UHFFFAOYSA-N

Compound name

2-methylquinolin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 158.0844 Da
Monoisotopic Mass: 1.9
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]+	159.09168	131.1
[M+Na]+	181.07362	140.8
[M-H]-	157.07712	134.5
[M+NH4]+	176.11822	151.8
[M+K]+	197.04756	137.2
[M+H-H2O]+	141.08166	124.7
[M+HCOO]-	203.08260	154.5
[M+CH3COO]-	217.09825	145.1
[M+Na-2H]-	179.05907	140.2
[M]+	158.08385	129.8
[M]-	158.08495	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe