CID 12753105

5-(methoxymethyl)-2-methylfuran-3-carboxylic acid

Structural Information

Molecular Formula
C8H10O4
SMILES
CC1=C(C=C(O1)COC)C(=O)O
InChI
InChI=1S/C8H10O4/c1-5-7(8(9)10)3-6(12-5)4-11-2/h3H,4H2,1-2H3,(H,9,10)
InChIKey
KBAKQVQWLHAHDH-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-2-methylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0579 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.065176 132.2
[M+Na]+ 193.047118 141.3
[M-H]- 169.050624 135.9
[M+NH4]+ 188.091723 152.8
[M+K]+ 209.021058 141.7
[M+H-H2O]+ 153.055160 127.6
[M+HCOO]- 215.056101 155.5
[M+CH3COO]- 229.071751 176.1
[M+Na-2H]- 191.032566 136.8
[M]+ 170.05735142 136.4
[M]- 170.05844858 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.