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 128.2
[M+Na]+ 179.03147 136.8
[M-H]- 155.03497 131.7
[M+NH4]+ 174.07607 149.1
[M+K]+ 195.00541 137.4
[M+H-H2O]+ 139.03951 123.5
[M+HCOO]- 201.04045 151.8
[M+CH3COO]- 215.05610 171.9
[M+Na-2H]- 177.01692 133.9
[M]+ 156.04170 131.6
[M]- 156.04280 131.6
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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