CID 584385

51423-95-1

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

CC1CC(=O)C2=C(O1)C=CC(=C2)C

InChI

InChI=1S/C11H12O2/c1-7-3-4-11-9(5-7)10(12)6-8(2)13-11/h3-5,8H,6H2,1-2H3

InChIKey

KMJGVNLHBBEOQD-UHFFFAOYSA-N

Compound name

2,6-dimethyl-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 176.08372 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]+	177.09100	134.8
[M+Na]+	199.07294	149.3
[M+NH4]+	194.11754	144.6
[M+K]+	215.04688	142.5
[M-H]-	175.07644	139.4
[M+Na-2H]-	197.05839	140.9
[M]+	176.08317	138.3
[M]-	176.08427	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe