CID 3068344

Fce 20518

Structural Information

Molecular Formula

C₁₅H₁₁NO₂

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3OC2(CO)C#N

InChI

InChI=1S/C15H11NO2/c16-9-15(10-17)13-7-3-1-5-11(13)12-6-2-4-8-14(12)18-15/h1-8,17H,10H2

InChIKey

YRQOYAJWVWIEHN-UHFFFAOYSA-N

Compound name

6-(hydroxymethyl)benzo[c]chromene-6-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 237.07898 Da
Monoisotopic Mass: 2.2
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]+	238.08626	156.2
[M+Na]+	260.06820	170.6
[M+NH4]+	255.11280	163.6
[M+K]+	276.04214	157.9
[M-H]-	236.07170	153.5
[M+Na-2H]-	258.05365	161.1
[M]+	237.07843	157.0
[M]-	237.07953	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe