CID 5353338

65474-79-5

Structural Information

Molecular Formula

C₁₂H₁₀N₂O

SMILES

C1=CC=C2C(=C1)C3=C(N2)C=NC(=C3)CO

InChI

InChI=1S/C12H10N2O/c15-7-8-5-10-9-3-1-2-4-11(9)14-12(10)6-13-8/h1-6,14-15H,7H2

InChIKey

CPBYHTDUBNSBQM-UHFFFAOYSA-N

Compound name

9H-pyrido[3,4-b]indol-3-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 17
References: 111
Patents: 198.07932 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]+	199.08660	140.3
[M+Na]+	221.06854	151.3
[M-H]-	197.07204	141.4
[M+NH4]+	216.11314	159.9
[M+K]+	237.04248	145.5
[M+H-H2O]+	181.07658	133.6
[M+HCOO]-	243.07752	160.5
[M+CH3COO]-	257.09317	153.3
[M+Na-2H]-	219.05399	149.1
[M]+	198.07877	140.7
[M]-	198.07987	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe