CID 12243024

7-methoxy-2h-chromene-3-carbonitrile

Structural Information

Molecular Formula

C₁₁H₉NO₂

SMILES

COC1=CC2=C(C=C1)C=C(CO2)C#N

InChI

InChI=1S/C11H9NO2/c1-13-10-3-2-9-4-8(6-12)7-14-11(9)5-10/h2-5H,7H2,1H3

InChIKey

VSQUWMPCKWVPTQ-UHFFFAOYSA-N

Compound name

7-methoxy-2H-chromene-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 187.06332 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]+	188.07060	141.4
[M+Na]+	210.05254	155.1
[M+NH4]+	205.09714	147.2
[M+K]+	226.02648	145.1
[M-H]-	186.05604	138.2
[M+Na-2H]-	208.03799	145.4
[M]+	187.06277	141.8
[M]-	187.06387	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe