CID 20277531

3-(methoxycarbonyl)furan-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

170.02153 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02881 130.1
[M+Na]+ 193.01075 138.6
[M-H]- 169.01425 133.7
[M+NH4]+ 188.05535 150.2
[M+K]+ 208.98469 139.7
[M+H-H2O]+ 153.01879 125.3
[M+HCOO]- 215.01973 153.1
[M+CH3COO]- 229.03538 173.5
[M+Na-2H]- 190.99620 134.6
[M]+ 170.02098 133.5
[M]- 170.02208 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