CID 927848

91136-80-0

Structural Information

Molecular Formula
C11H8O6
SMILES
C1=C(OC(=C1)C(=O)O)CC2=CC=C(O2)C(=O)O
InChI
InChI=1S/C11H8O6/c12-10(13)8-3-1-6(16-8)5-7-2-4-9(17-7)11(14)15/h1-4H,5H2,(H,12,13)(H,14,15)
InChIKey
UBLUFCRWIXJFEJ-UHFFFAOYSA-N
Compound name
5-[(5-carboxyfuran-2-yl)methyl]furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

236.03209 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.03937 146.2
[M+Na]+ 259.02131 155.2
[M-H]- 235.02481 153.0
[M+NH4]+ 254.06591 163.2
[M+K]+ 274.99525 155.7
[M+H-H2O]+ 219.02935 141.6
[M+HCOO]- 281.03029 169.2
[M+CH3COO]- 295.04594 183.4
[M+Na-2H]- 257.00676 149.3
[M]+ 236.03154 151.5
[M]- 236.03264 151.5
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.