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]+ 209.044446 138.3
[M+Na]+ 231.026388 146.6
[M-H]- 207.029894 141.3
[M+NH4]+ 226.070993 155.6
[M+K]+ 247.000328 145.5
[M+H-H2O]+ 191.034430 133.0
[M+HCOO]- 253.035371 156.0
[M+CH3COO]- 267.051021 180.9
[M+Na-2H]- 229.011836 144.2
[M]+ 208.03662142 137.9
[M]- 208.03771858 137.9
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

No patent data available for this compound.