CID 59610

Brn 0265804

Structural Information

Molecular Formula
C16H18O5
SMILES
CCC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)OCC)C
InChI
InChI=1S/C16H18O5/c1-4-13-10(3)16(18)12-7-6-11(8-14(12)21-13)20-9-15(17)19-5-2/h6-8H,4-5,9H2,1-3H3
InChIKey
XHZYQBPCJJASPQ-UHFFFAOYSA-N
Compound name
ethyl 2-(2-ethyl-3-methyl-4-oxochromen-7-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.11542 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12270 163.3
[M+Na]+ 313.10464 172.9
[M-H]- 289.10814 169.2
[M+NH4]+ 308.14924 179.3
[M+K]+ 329.07858 171.9
[M+H-H2O]+ 273.11268 156.4
[M+HCOO]- 335.11362 184.9
[M+CH3COO]- 349.12927 203.7
[M+Na-2H]- 311.09009 168.1
[M]+ 290.11487 171.8
[M]- 290.11597 171.8
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

patents stripe