CID 24844819

8-aminoharman

Structural Information

Molecular Formula

C₁₂H₁₁N₃

SMILES

CC1=NC=CC2=C1NC3=C2C=CC=C3N

InChI

InChI=1S/C12H11N3/c1-7-11-9(5-6-14-7)8-3-2-4-10(13)12(8)15-11/h2-6,15H,13H2,1H3

InChIKey

FFGQUIBSEOHWDI-UHFFFAOYSA-N

Compound name

1-methyl-9H-pyrido[3,4-b]indol-8-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.09529 Da
Monoisotopic Mass: 2.0
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]+	198.10257	140.8
[M+Na]+	220.08451	155.7
[M+NH4]+	215.12911	150.3
[M+K]+	236.05845	150.0
[M-H]-	196.08801	143.9
[M+Na-2H]-	218.06996	147.8
[M]+	197.09474	143.8
[M]-	197.09584	143.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.