CID 130120310

Methyl 4-(hydroxymethyl)-2-methylfuran-3-carboxylate

Structural Information

Molecular Formula
C8H10O4
SMILES
CC1=C(C(=CO1)CO)C(=O)OC
InChI
InChI=1S/C8H10O4/c1-5-7(8(10)11-2)6(3-9)4-12-5/h4,9H,3H2,1-2H3
InChIKey
CNGXWOSXDKIIKP-UHFFFAOYSA-N
Compound name
methyl 4-(hydroxymethyl)-2-methylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0579 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 132.4
[M+Na]+ 193.04712 141.6
[M-H]- 169.05062 136.2
[M+NH4]+ 188.09172 153.1
[M+K]+ 209.02106 142.0
[M+H-H2O]+ 153.05516 127.9
[M+HCOO]- 215.05610 155.7
[M+CH3COO]- 229.07175 175.5
[M+Na-2H]- 191.03257 137.0
[M]+ 170.05735 136.5
[M]- 170.05845 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

No patent data available for this compound.