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

42
Patents

218.0579 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.065176 142.0
[M+Na]+ 241.047118 152.1
[M-H]- 217.050624 146.9
[M+NH4]+ 236.091723 160.1
[M+K]+ 257.021058 150.5
[M+H-H2O]+ 201.055160 136.3
[M+HCOO]- 263.056101 163.3
[M+CH3COO]- 277.071751 186.4
[M+Na-2H]- 239.032566 149.2
[M]+ 218.05735142 145.6
[M]- 218.05844858 145.6
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

patents stripe