CID 10954598

121021-88-3

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CC1(CC(=O)C2=C(O1)C=CC(=C2)C#N)C

InChI

InChI=1S/C12H11NO2/c1-12(2)6-10(14)9-5-8(7-13)3-4-11(9)15-12/h3-5H,6H2,1-2H3

InChIKey

RGYKRQIZIXTZDV-UHFFFAOYSA-N

Compound name

2,2-dimethyl-4-oxo-3H-chromene-6-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 201.07898 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]+	202.08626	143.1
[M+Na]+	224.06820	156.3
[M+NH4]+	219.11280	149.9
[M+K]+	240.04214	145.1
[M-H]-	200.07170	139.6
[M+Na-2H]-	222.05365	147.4
[M]+	201.07843	143.4
[M]-	201.07953	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe