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

32
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

literature stripe

Patent stripe

patents stripe