CID 43411

4h-1-benzopyran-2-carboxylic acid, 4a,8a-dihydro-7-hydroxy-4-oxo-, (z)-

Structural Information

Molecular Formula
C10H8O5
SMILES
C1=CC(=C[C@H]2[C@@H]1C(=O)C=C(O2)C(=O)O)O
InChI
InChI=1S/C10H8O5/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h1-4,6,8,11H,(H,13,14)/t6-,8-/m0/s1
InChIKey
WTSKOSDWKCOHNR-XPUUQOCRSA-N
Compound name
(4aR,8aS)-7-hydroxy-4-oxo-4a,8a-dihydrochromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.03717 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04445 139.9
[M+Na]+ 231.02639 151.6
[M+NH4]+ 226.07099 146.9
[M+K]+ 247.00033 148.0
[M-H]- 207.02989 141.3
[M+Na-2H]- 229.01184 143.0
[M]+ 208.03662 141.7
[M]- 208.03772 141.7
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.