CID 103373

65383-61-1

Structural Information

Molecular Formula
C13H16O4
SMILES
CC1(CC(=O)C2=CC(=C(C=C2O1)OC)OC)C
InChI
InChI=1S/C13H16O4/c1-13(2)7-9(14)8-5-11(15-3)12(16-4)6-10(8)17-13/h5-6H,7H2,1-4H3
InChIKey
OMWVNQFGCGNZHE-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2,2-dimethyl-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

34
Patents

236.10486 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11214 148.1
[M+Na]+ 259.09408 158.0
[M-H]- 235.09758 154.1
[M+NH4]+ 254.13868 168.5
[M+K]+ 275.06802 157.8
[M+H-H2O]+ 219.10212 142.7
[M+HCOO]- 281.10306 168.4
[M+CH3COO]- 295.11871 193.2
[M+Na-2H]- 257.07953 155.1
[M]+ 236.10431 153.1
[M]- 236.10541 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe