CID 361668

Nsc624886

Structural Information

Molecular Formula
C13H14O5
SMILES
CCOC(=O)COC1=CC=CC2=C1C(=O)CCO2
InChI
InChI=1S/C13H14O5/c1-2-16-12(15)8-18-11-5-3-4-10-13(11)9(14)6-7-17-10/h3-5H,2,6-8H2,1H3
InChIKey
MYDSVSVEMKIZGA-UHFFFAOYSA-N
Compound name
ethyl 2-[(4-oxo-2,3-dihydrochromen-5-yl)oxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.08412 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09140 151.7
[M+Na]+ 273.07334 158.8
[M-H]- 249.07684 156.6
[M+NH4]+ 268.11794 168.6
[M+K]+ 289.04728 158.7
[M+H-H2O]+ 233.08138 145.1
[M+HCOO]- 295.08232 171.5
[M+CH3COO]- 309.09797 192.8
[M+Na-2H]- 271.05879 157.7
[M]+ 250.08357 155.6
[M]- 250.08467 155.6
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.