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]+ 275.12778 158.9
[M+Na]+ 297.10972 169.2
[M-H]- 273.11322 165.3
[M+NH4]+ 292.15432 175.9
[M+K]+ 313.08366 168.2
[M+H-H2O]+ 257.11776 152.7
[M+HCOO]- 319.11870 179.3
[M+CH3COO]- 333.13435 204.4
[M+Na-2H]- 295.09517 161.9
[M]+ 274.11995 165.9
[M]- 274.12105 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.