CID 20277542

5-(methoxycarbonyl)furan-3-carboxylic acid

Structural Information

Molecular Formula
C7H6O5
SMILES
COC(=O)C1=CC(=CO1)C(=O)O
InChI
InChI=1S/C7H6O5/c1-11-7(10)5-2-4(3-12-5)6(8)9/h2-3H,1H3,(H,8,9)
InChIKey
WJEKCCOEKJGSGX-UHFFFAOYSA-N
Compound name
5-methoxycarbonylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

170.02153 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.028806 130.1
[M+Na]+ 193.010748 138.6
[M-H]- 169.014254 133.7
[M+NH4]+ 188.055353 150.2
[M+K]+ 208.984688 139.7
[M+H-H2O]+ 153.018790 125.3
[M+HCOO]- 215.019731 153.1
[M+CH3COO]- 229.035381 173.5
[M+Na-2H]- 190.996196 134.6
[M]+ 170.02098142 133.5
[M]- 170.02207858 133.5
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

patents stripe