CID 13480865

15496-18-1

Structural Information

Molecular Formula
C12H14O3
SMILES
CC1(CC(=O)C2=C(O1)C(=CC=C2)OC)C
InChI
InChI=1S/C12H14O3/c1-12(2)7-9(13)8-5-4-6-10(14-3)11(8)15-12/h4-6H,7H2,1-3H3
InChIKey
XPVAFZFSGRBVBN-UHFFFAOYSA-N
Compound name
8-methoxy-2,2-dimethyl-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.