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 138.3
[M+Na]+ 231.02639 146.6
[M-H]- 207.02989 141.3
[M+NH4]+ 226.07099 155.6
[M+K]+ 247.00033 145.5
[M+H-H2O]+ 191.03443 133.0
[M+HCOO]- 253.03537 156.0
[M+CH3COO]- 267.05102 180.9
[M+Na-2H]- 229.01184 144.2
[M]+ 208.03662 137.9
[M]- 208.03772 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.