CID 1809150

123770-84-3

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₂

SMILES

COC(=O)/C(=C\C1=CNC2=CC=CC=C21)/C#N

InChI

InChI=1S/C13H10N2O2/c1-17-13(16)9(7-14)6-10-8-15-12-5-3-2-4-11(10)12/h2-6,8,15H,1H3/b9-6-

InChIKey

JRKWEDQGUNBTEE-TWGQIWQCSA-N

Compound name

methyl (Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 226.07423 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]+	227.08151	152.7
[M+Na]+	249.06345	163.9
[M+NH4]+	244.10805	156.3
[M+K]+	265.03739	156.5
[M-H]-	225.06695	145.6
[M+Na-2H]-	247.04890	154.8
[M]+	226.07368	151.2
[M]-	226.07478	151.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.