CID 59683

Brn 0248676

Structural Information

Molecular Formula
C15H16O5
SMILES
CCOC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C
InChI
InChI=1S/C15H16O5/c1-4-18-14(16)8-19-11-5-6-12-13(7-11)20-10(3)9(2)15(12)17/h5-7H,4,8H2,1-3H3
InChIKey
MHDFGLTZSKLWQN-UHFFFAOYSA-N
Compound name
ethyl 2-(2,3-dimethyl-4-oxochromen-7-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.09976 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10704 158.4
[M+Na]+ 299.08898 168.5
[M-H]- 275.09248 164.5
[M+NH4]+ 294.13358 175.1
[M+K]+ 315.06292 167.7
[M+H-H2O]+ 259.09702 151.8
[M+HCOO]- 321.09796 180.4
[M+CH3COO]- 335.11361 200.7
[M+Na-2H]- 297.07443 163.8
[M]+ 276.09921 166.7
[M]- 276.10031 166.7
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

patents stripe