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

literature stripe

Patent stripe

patents stripe