CID 22972

6468-76-4

Structural Information

Molecular Formula
C15H14O5
SMILES
CC(C)OC(=O)C1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)C
InChI
InChI=1S/C15H14O5/c1-8(2)19-14(17)10-4-5-13-11(6-10)7-12(9(3)16)15(18)20-13/h4-8H,1-3H3
InChIKey
JVEISLFWHJXENT-UHFFFAOYSA-N
Compound name
propan-2-yl 3-acetyl-2-oxochromene-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08414 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 156.9
[M+Na]+ 297.07336 165.7
[M-H]- 273.07686 162.8
[M+NH4]+ 292.11796 173.0
[M+K]+ 313.04730 165.4
[M+H-H2O]+ 257.08140 150.4
[M+HCOO]- 319.08234 177.1
[M+CH3COO]- 333.09799 200.6
[M+Na-2H]- 295.05881 160.7
[M]+ 274.08359 162.8
[M]- 274.08469 162.8
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.