CID 24844818

6-aminoharman

Structural Information

Molecular Formula

C₁₂H₁₁N₃

SMILES

CC1=NC=CC2=C1NC3=C2C=C(C=C3)N

InChI

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

InChIKey

ZPIXSVIDESIDHF-UHFFFAOYSA-N

Compound name

1-methyl-9H-pyrido[3,4-b]indol-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.09529 Da
Monoisotopic Mass: 2.9
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]+	198.10257	141.0
[M+Na]+	220.08451	152.7
[M-H]-	196.08801	143.3
[M+NH4]+	215.12911	161.1
[M+K]+	236.05845	146.7
[M+H-H2O]+	180.09255	134.1
[M+HCOO]-	242.09349	162.9
[M+CH3COO]-	256.10914	154.4
[M+Na-2H]-	218.06996	149.1
[M]+	197.09474	140.6
[M]-	197.09584	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe