CID 3068341

Fce 20519

Structural Information

Molecular Formula

C₁₅H₁₁NO

SMILES

CC1(C2=CC=CC=C2C3=CC=CC=C3O1)C#N

InChI

InChI=1S/C15H11NO/c1-15(10-16)13-8-4-2-6-11(13)12-7-3-5-9-14(12)17-15/h2-9H,1H3

InChIKey

YLGSBQPQENHHDS-UHFFFAOYSA-N

Compound name

6-methylbenzo[c]chromene-6-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 221.08406 Da
Monoisotopic Mass: 3.3
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]+	222.091336	151.5
[M+Na]+	244.073278	164.5
[M-H]-	220.076784	156.8
[M+NH4]+	239.117883	170.8
[M+K]+	260.047218	157.0
[M+H-H2O]+	204.081320	138.7
[M+HCOO]-	266.082261	168.4
[M+CH3COO]-	280.097911	163.5
[M+Na-2H]-	242.058726	160.8
[M]+	221.08351142	147.4
[M]-	221.08460858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe