CID 58824163

Methyl 4-(hydroxymethyl)-5-methylfuran-2-carboxylate

Structural Information

Molecular Formula
C8H10O4
SMILES
CC1=C(C=C(O1)C(=O)OC)CO
InChI
InChI=1S/C8H10O4/c1-5-6(4-9)3-7(12-5)8(10)11-2/h3,9H,4H2,1-2H3
InChIKey
WMMLKFQIKWKPCQ-UHFFFAOYSA-N
Compound name
methyl 4-(hydroxymethyl)-5-methylfuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

170.0579 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.065176 132.4
[M+Na]+ 193.047118 141.6
[M-H]- 169.050624 136.2
[M+NH4]+ 188.091723 153.1
[M+K]+ 209.021058 142.0
[M+H-H2O]+ 153.055160 127.9
[M+HCOO]- 215.056101 155.7
[M+CH3COO]- 229.071751 175.5
[M+Na-2H]- 191.032566 137.0
[M]+ 170.05735142 136.5
[M]- 170.05844858 136.5
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

patents stripe