CID 214633

4h-1-benzopyran-2-carbonitrile, 3-methyl-4-oxo-

Structural Information

Molecular Formula

C₁₁H₇NO₂

SMILES

CC1=C(OC2=CC=CC=C2C1=O)C#N

InChI

InChI=1S/C11H7NO2/c1-7-10(6-12)14-9-5-3-2-4-8(9)11(7)13/h2-5H,1H3

InChIKey

VEQYFJSASLNUPK-UHFFFAOYSA-N

Compound name

3-methyl-4-oxochromene-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.04768 Da
Monoisotopic Mass: 1.9
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]+	186.05496	139.0
[M+Na]+	208.03690	153.9
[M+NH4]+	203.08150	144.6
[M+K]+	224.01084	143.8
[M-H]-	184.04040	135.8
[M+Na-2H]-	206.02235	143.5
[M]+	185.04713	139.5
[M]-	185.04823	139.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.