CID 97374

8-amino-4-methylquinoline

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

CC1=C2C=CC=C(C2=NC=C1)N

InChI

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

InChIKey

JRIMCEIADALFEE-UHFFFAOYSA-N

Compound name

4-methylquinolin-8-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 24
Patents: 158.0844 Da
Monoisotopic Mass: 2.1
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]+	159.091676	131.1
[M+Na]+	181.073618	140.8
[M-H]-	157.077124	134.5
[M+NH4]+	176.118223	151.8
[M+K]+	197.047558	137.2
[M+H-H2O]+	141.081660	124.7
[M+HCOO]-	203.082601	154.5
[M+CH3COO]-	217.098251	145.1
[M+Na-2H]-	179.059066	140.2
[M]+	158.08385142	129.8
[M]-	158.08494858	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe