CID 4196515

42368-92-3

Structural Information

Molecular Formula
C15H16O5
SMILES
CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)OCC)O
InChI
InChI=1S/C15H16O5/c1-3-5-9-11(16)7-6-10-12(17)8-13(20-14(9)10)15(18)19-4-2/h6-8,16H,3-5H2,1-2H3
InChIKey
KBJFWBWKNHQHDH-UHFFFAOYSA-N
Compound name
ethyl 7-hydroxy-4-oxo-8-propylchromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

276.09976 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10704 159.2
[M+Na]+ 299.08898 168.7
[M-H]- 275.09248 163.8
[M+NH4]+ 294.13358 175.1
[M+K]+ 315.06292 167.1
[M+H-H2O]+ 259.09702 152.7
[M+HCOO]- 321.09796 179.6
[M+CH3COO]- 335.11361 198.3
[M+Na-2H]- 297.07443 164.0
[M]+ 276.09921 165.5
[M]- 276.10031 165.5
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