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]+ 249.075746 149.7
[M+Na]+ 271.057688 158.8
[M-H]- 247.061194 155.4
[M+NH4]+ 266.102293 166.9
[M+K]+ 287.031628 158.4
[M+H-H2O]+ 231.065730 143.0
[M+HCOO]- 293.066671 172.4
[M+CH3COO]- 307.082321 192.1
[M+Na-2H]- 269.043136 157.5
[M]+ 248.06792142 156.4
[M]- 248.06901858 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.