CID 2758822

6-ethylchromone-2-carboxylic acid

Structural Information

Molecular Formula
C12H10O4
SMILES
CCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O
InChI
InChI=1S/C12H10O4/c1-2-7-3-4-10-8(5-7)9(13)6-11(16-10)12(14)15/h3-6H,2H2,1H3,(H,14,15)
InChIKey
IUJCKZLNEJLXBC-UHFFFAOYSA-N
Compound name
6-ethyl-4-oxochromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

218.0579 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 143.1
[M+Na]+ 241.04712 157.3
[M+NH4]+ 236.09172 150.8
[M+K]+ 257.02106 151.9
[M-H]- 217.05062 145.9
[M+Na-2H]- 239.03257 148.6
[M]+ 218.05735 145.9
[M]- 218.05845 145.9
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