CID 18727899

6-methylisoquinolin-1-amine

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

CC1=CC2=C(C=C1)C(=NC=C2)N

InChI

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

InChIKey

KPFDDEKLIBIDOA-UHFFFAOYSA-N

Compound name

6-methylisoquinolin-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 204
Patents: 158.0844 Da
Monoisotopic Mass: 2.3
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	131.2
[M+Na]+	181.07362	146.0
[M+NH4]+	176.11822	141.2
[M+K]+	197.04756	138.3
[M-H]-	157.07712	135.1
[M+Na-2H]-	179.05907	139.7
[M]+	158.08385	134.5
[M]-	158.08495	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe