CID 4682007

5-(ethoxymethyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C8H10O4
SMILES
CCOCC1=CC=C(O1)C(=O)O
InChI
InChI=1S/C8H10O4/c1-2-11-5-6-3-4-7(12-6)8(9)10/h3-4H,2,5H2,1H3,(H,9,10)
InChIKey
WIVYCKXKKLJCNZ-UHFFFAOYSA-N
Compound name
5-(ethoxymethyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

170.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 133.0
[M+Na]+ 193.04712 141.1
[M-H]- 169.05062 136.3
[M+NH4]+ 188.09172 153.3
[M+K]+ 209.02106 141.6
[M+H-H2O]+ 153.05516 128.1
[M+HCOO]- 215.05610 156.3
[M+CH3COO]- 229.07175 174.9
[M+Na-2H]- 191.03257 138.2
[M]+ 170.05735 136.8
[M]- 170.05845 136.8
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