CID 361667

Nsc624885

Structural Information

Molecular Formula
C13H12O5
SMILES
CCOC(=O)COC1=CC=CC2=C1C(=O)C=CO2
InChI
InChI=1S/C13H12O5/c1-2-16-12(15)8-18-11-5-3-4-10-13(11)9(14)6-7-17-10/h3-7H,2,8H2,1H3
InChIKey
WIMMGTSHXAHDNJ-UHFFFAOYSA-N
Compound name
ethyl 2-(4-oxochromen-5-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.06847 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.07575 149.7
[M+Na]+ 271.05769 158.8
[M-H]- 247.06119 155.4
[M+NH4]+ 266.10229 166.9
[M+K]+ 287.03163 158.4
[M+H-H2O]+ 231.06573 143.0
[M+HCOO]- 293.06667 172.4
[M+CH3COO]- 307.08232 192.1
[M+Na-2H]- 269.04314 157.5
[M]+ 248.06792 156.4
[M]- 248.06902 156.4
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.