CID 9834320

474024-38-9

Structural Information

Molecular Formula

C₁₃H₉NO₂

SMILES

C1COC(=C2C=C(C3=CC=CC=C32)C#N)O1

InChI

InChI=1S/C13H9NO2/c14-8-9-7-12(13-15-5-6-16-13)11-4-2-1-3-10(9)11/h1-4,7H,5-6H2

InChIKey

LOFHCHIYFDFUNK-UHFFFAOYSA-N

Compound name

3-(1,3-dioxolan-2-ylidene)indene-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 211.06332 Da
Monoisotopic Mass: 1.8
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]+	212.07060	145.9
[M+Na]+	234.05254	157.8
[M-H]-	210.05604	153.1
[M+NH4]+	229.09714	164.4
[M+K]+	250.02648	152.7
[M+H-H2O]+	194.06058	134.0
[M+HCOO]-	256.06152	164.4
[M+CH3COO]-	270.07717	158.5
[M+Na-2H]-	232.03799	150.1
[M]+	211.06277	141.2
[M]-	211.06387	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe