CID 1125227

5-(methoxymethyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C7H8O4
SMILES
COCC1=CC=C(O1)C(=O)O
InChI
InChI=1S/C7H8O4/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3H,4H2,1H3,(H,8,9)
InChIKey
HUUCEXDTXVRYMK-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
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

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Patent stripe

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