CID 43414

60722-23-8

Structural Information

Molecular Formula
C12H12O6
SMILES
C1C(OC2C=C(C=CC2C1=O)O)C(=O)OCC=O
InChI
InChI=1S/C12H12O6/c13-3-4-17-12(16)11-6-9(15)8-2-1-7(14)5-10(8)18-11/h1-3,5,8,10-11,14H,4,6H2
InChIKey
CLXOQAOAJMVUTK-UHFFFAOYSA-N
Compound name
2-oxoethyl 7-hydroxy-4-oxo-2,3,4a,8a-tetrahydrochromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.06339 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07067 151.8
[M+Na]+ 275.05261 162.2
[M+NH4]+ 270.09721 157.8
[M+K]+ 291.02655 158.5
[M-H]- 251.05611 152.7
[M+Na-2H]- 273.03806 153.6
[M]+ 252.06284 153.1
[M]- 252.06394 153.1
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.