CID 771107

5-methoxyfuran-2-carboxylic acid

Structural Information

Molecular Formula
C6H6O4
SMILES
COC1=CC=C(O1)C(=O)O
InChI
InChI=1S/C6H6O4/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H,7,8)
InChIKey
YKFIGGAALSZSJV-UHFFFAOYSA-N
Compound name
5-methoxyfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

142.02661 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03389 123.4
[M+Na]+ 165.01583 132.4
[M-H]- 141.01933 127.0
[M+NH4]+ 160.06043 144.8
[M+K]+ 180.98977 133.3
[M+H-H2O]+ 125.02387 118.9
[M+HCOO]- 187.02481 147.4
[M+CH3COO]- 201.04046 168.9
[M+Na-2H]- 163.00128 129.7
[M]+ 142.02606 126.5
[M]- 142.02716 126.5
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