CID 71602273

Chembl2377600

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

CN1C=C(C2=C1C(=CC=C2)O)CC#N

InChI

InChI=1S/C11H10N2O/c1-13-7-8(5-6-12)9-3-2-4-10(14)11(9)13/h2-4,7,14H,5H2,1H3

InChIKey

GUZXLEZYEOLAGV-UHFFFAOYSA-N

Compound name

2-(7-hydroxy-1-methylindol-3-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 186.07932 Da
Monoisotopic Mass: 1.3
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]+	187.08660	139.7
[M+Na]+	209.06854	153.0
[M+NH4]+	204.11314	144.9
[M+K]+	225.04248	144.8
[M-H]-	185.07204	134.1
[M+Na-2H]-	207.05399	143.4
[M]+	186.07877	139.2
[M]-	186.07987	139.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.