CID 15800

Ethyl 2-oxo-2h-chromene-3-carboxylate

Structural Information

Molecular Formula
C12H10O4
SMILES
CCOC(=O)C1=CC2=CC=CC=C2OC1=O
InChI
InChI=1S/C12H10O4/c1-2-15-11(13)9-7-8-5-3-4-6-10(8)16-12(9)14/h3-7H,2H2,1H3
InChIKey
XKHPEMKBJGUYCM-UHFFFAOYSA-N
Compound name
ethyl 2-oxochromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

371
Patents

218.0579 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.065176 142.0
[M+Na]+ 241.047118 151.7
[M-H]- 217.050624 147.9
[M+NH4]+ 236.091723 160.5
[M+K]+ 257.021058 150.9
[M+H-H2O]+ 201.055160 135.8
[M+HCOO]- 263.056101 164.9
[M+CH3COO]- 277.071751 187.0
[M+Na-2H]- 239.032566 150.3
[M]+ 218.05735142 146.9
[M]- 218.05844858 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe