CID 11790374

98910-61-3

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: 4
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]+	207.101576	141.1
[M+Na]+	229.083518	150.7
[M-H]-	205.087024	147.0
[M+NH4]+	224.128123	162.5
[M+K]+	245.057458	150.1
[M+H-H2O]+	189.091560	135.9
[M+HCOO]-	251.092501	161.7
[M+CH3COO]-	265.108151	186.8
[M+Na-2H]-	227.068966	149.2
[M]+	206.09375142	143.9
[M]-	206.09484858	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe