CID 11790374

5-methoxy-2,2-dimethylchroman-4-one

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

CC1(CC(=O)C2=C(O1)C=CC=C2OC)C

InChI

InChI=1S/C12H14O3/c1-12(2)7-8(13)11-9(14-3)5-4-6-10(11)15-12/h4-6H,7H2,1-3H3

InChIKey

RWFBDXQSHYXJRA-UHFFFAOYSA-N

Compound name

5-methoxy-2,2-dimethyl-3H-chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 206.0943 Da
Monoisotopic Mass: 2.0
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]+	207.10158	142.6
[M+Na]+	229.08352	156.5
[M+NH4]+	224.12812	153.0
[M+K]+	245.05746	148.3
[M-H]-	205.08702	146.6
[M+Na-2H]-	227.06897	149.5
[M]+	206.09375	145.9
[M]-	206.09485	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe