CID 3387959

314742-02-4

Structural Information

Molecular Formula
C15H16O4
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)C)C
InChI
InChI=1S/C15H16O4/c1-8-9(2)15(17)19-14-7-12(5-6-13(8)14)18-11(4)10(3)16/h5-7,11H,1-4H3
InChIKey
DZNZFKVXGBBLCI-UHFFFAOYSA-N
Compound name
3,4-dimethyl-7-(3-oxobutan-2-yloxy)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10486 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 154.9
[M+Na]+ 283.09408 164.8
[M-H]- 259.09758 161.1
[M+NH4]+ 278.13868 172.2
[M+K]+ 299.06802 163.9
[M+H-H2O]+ 243.10212 148.7
[M+HCOO]- 305.10306 175.7
[M+CH3COO]- 319.11871 200.1
[M+Na-2H]- 281.07953 159.1
[M]+ 260.10431 161.2
[M]- 260.10541 161.2
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.