CID 43450835

2-n-methylquinoline-2,6-diamine

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

CNC1=NC2=C(C=C1)C=C(C=C2)N

InChI

InChI=1S/C10H11N3/c1-12-10-5-2-7-6-8(11)3-4-9(7)13-10/h2-6H,11H2,1H3,(H,12,13)

InChIKey

BEMQTCZGJYRYHA-UHFFFAOYSA-N

Compound name

2-N-methylquinoline-2,6-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 173.09529 Da
Monoisotopic Mass: 1.8
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]+	174.10257	135.1
[M+Na]+	196.08451	148.6
[M+NH4]+	191.12911	144.5
[M+K]+	212.05845	141.3
[M-H]-	172.08801	139.2
[M+Na-2H]-	194.06996	143.2
[M]+	173.09474	138.1
[M]-	173.09584	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe