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

75
Patents

156.04225 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.049526 128.2
[M+Na]+ 179.031468 136.8
[M-H]- 155.034974 131.7
[M+NH4]+ 174.076073 149.1
[M+K]+ 195.005408 137.4
[M+H-H2O]+ 139.039510 123.5
[M+HCOO]- 201.040451 151.8
[M+CH3COO]- 215.056101 171.9
[M+Na-2H]- 177.016916 133.9
[M]+ 156.04170142 131.6
[M]- 156.04279858 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

literature stripe

Patent stripe

patents stripe