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

6
Patents

170.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.065176 133.0
[M+Na]+ 193.047118 141.1
[M-H]- 169.050624 136.3
[M+NH4]+ 188.091723 153.3
[M+K]+ 209.021058 141.6
[M+H-H2O]+ 153.055160 128.1
[M+HCOO]- 215.056101 156.3
[M+CH3COO]- 229.071751 174.9
[M+Na-2H]- 191.032566 138.2
[M]+ 170.05735142 136.8
[M]- 170.05844858 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