CID 5393159

88404-14-2

Structural Information

Molecular Formula
C11H8O6
SMILES
C1=C(C2=CC(=C(C=C2OC1=O)O)O)CC(=O)O
InChI
InChI=1S/C11H8O6/c12-7-3-6-5(1-10(14)15)2-11(16)17-9(6)4-8(7)13/h2-4,12-13H,1H2,(H,14,15)
InChIKey
VZBNZFYHLQRFPS-UHFFFAOYSA-N
Compound name
2-(6,7-dihydroxy-2-oxochromen-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

41
Patents

236.03209 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.03937 144.0
[M+Na]+ 259.02131 154.1
[M-H]- 235.02481 146.5
[M+NH4]+ 254.06591 159.8
[M+K]+ 274.99525 152.4
[M+H-H2O]+ 219.02935 138.5
[M+HCOO]- 281.03029 162.8
[M+CH3COO]- 295.04594 184.7
[M+Na-2H]- 257.00676 150.1
[M]+ 236.03154 146.8
[M]- 236.03264 146.8
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.