CID 80237

Methyl 2-methylfuran-3-carboxylate

Structural Information

Molecular Formula
C7H8O3
SMILES
CC1=C(C=CO1)C(=O)OC
InChI
InChI=1S/C7H8O3/c1-5-6(3-4-10-5)7(8)9-2/h3-4H,1-2H3
InChIKey
UVRRIABXNIGUJZ-UHFFFAOYSA-N
Compound name
methyl 2-methylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

407
Patents

140.04735 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05463 125.8
[M+Na]+ 163.03657 137.2
[M+NH4]+ 158.08117 133.9
[M+K]+ 179.01051 134.7
[M-H]- 139.04007 127.7
[M+Na-2H]- 161.02202 130.7
[M]+ 140.04680 127.8
[M]- 140.04790 127.8
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