CID 12531626

13229-59-9

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

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

InChI

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

InChIKey

ZCZUDOBLRMXOGV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 32
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	141.1
[M+Na]+	229.08352	150.7
[M-H]-	205.08702	147.0
[M+NH4]+	224.12812	162.5
[M+K]+	245.05746	150.1
[M+H-H2O]+	189.09156	135.9
[M+HCOO]-	251.09250	161.7
[M+CH3COO]-	265.10815	186.8
[M+Na-2H]-	227.06897	149.2
[M]+	206.09375	143.9
[M]-	206.09485	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe