CID 3564783

5-methoxyindole-3-acetonitrile

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

COC1=CC2=C(C=C1)NC=C2CC#N

InChI

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

InChIKey

ZBQCXEREMRGOCO-UHFFFAOYSA-N

Compound name

2-(5-methoxy-1H-indol-3-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 57
Patents: 186.07932 Da
Monoisotopic Mass: 1.7
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	140.8
[M+Na]+	209.06854	153.8
[M+NH4]+	204.11314	146.0
[M+K]+	225.04248	145.3
[M-H]-	185.07204	135.1
[M+Na-2H]-	207.05399	144.6
[M]+	186.07877	140.2
[M]-	186.07987	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe