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]+ 171.06518 132.2
[M+Na]+ 193.04712 141.3
[M-H]- 169.05062 135.9
[M+NH4]+ 188.09172 152.8
[M+K]+ 209.02106 141.7
[M+H-H2O]+ 153.05516 127.6
[M+HCOO]- 215.05610 155.5
[M+CH3COO]- 229.07175 176.1
[M+Na-2H]- 191.03257 136.8
[M]+ 170.05735 136.4
[M]- 170.05845 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.