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

45
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

literature stripe

Patent stripe

patents stripe