CID 21422142

3-(methoxymethyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C7H8O4
SMILES
COCC1=C(OC=C1)C(=O)O
InChI
InChI=1S/C7H8O4/c1-10-4-5-2-3-11-6(5)7(8)9/h2-3H,4H2,1H3,(H,8,9)
InChIKey
VVXDFYPDSVBKDV-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.04225 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04953 129.4
[M+Na]+ 179.03147 139.7
[M+NH4]+ 174.07607 136.4
[M+K]+ 195.00541 138.0
[M-H]- 155.03497 130.2
[M+Na-2H]- 177.01692 133.1
[M]+ 156.04170 130.8
[M]- 156.04280 130.8
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

No patent data available for this compound.