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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.03937	146.8
[M+Na]+	259.02131	157.5
[M+NH4]+	254.06591	154.0
[M+K]+	274.99525	153.2
[M-H]-	235.02481	147.0
[M+Na-2H]-	257.00676	151.0
[M]+	236.03154	148.2
[M]-	236.03264	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe