CID 3490538

314742-07-9

Structural Information

Molecular Formula
C16H18O4
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)C)C
InChI
InChI=1S/C16H18O4/c1-8-9(2)16(18)20-15-10(3)14(7-6-13(8)15)19-12(5)11(4)17/h6-7,12H,1-5H3
InChIKey
UEFZSBYJVIWXML-UHFFFAOYSA-N
Compound name
3,4,8-trimethyl-7-(3-oxobutan-2-yloxy)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1205 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.127776 158.9
[M+Na]+ 297.109718 169.2
[M-H]- 273.113224 165.3
[M+NH4]+ 292.154323 175.9
[M+K]+ 313.083658 168.2
[M+H-H2O]+ 257.117760 152.7
[M+HCOO]- 319.118701 179.3
[M+CH3COO]- 333.134351 204.4
[M+Na-2H]- 295.095166 161.9
[M]+ 274.11995142 165.9
[M]- 274.12104858 165.9
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.