CID 656874

2-carboxy-2-hydroxy-8-carboxychromene

Structural Information

Molecular Formula
C11H8O6
SMILES
C1=CC2=C(C(=C1)C(=O)O)OC(C=C2)(C(=O)O)O
InChI
InChI=1S/C11H8O6/c12-9(13)7-3-1-2-6-4-5-11(16,10(14)15)17-8(6)7/h1-5,16H,(H,12,13)(H,14,15)
InChIKey
QTUUVCOZQOTVCR-UHFFFAOYSA-N
Compound name
2-hydroxychromene-2,8-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

236.03209 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.03937 145.7
[M+Na]+ 259.02131 153.8
[M-H]- 235.02481 147.5
[M+NH4]+ 254.06591 162.8
[M+K]+ 274.99525 152.9
[M+H-H2O]+ 219.02935 140.8
[M+HCOO]- 281.03029 162.1
[M+CH3COO]- 295.04594 182.9
[M+Na-2H]- 257.00676 152.4
[M]+ 236.03154 146.2
[M]- 236.03264 146.2
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.