CID 350231

Methyl 3-methyl-2-furoate

Structural Information

Molecular Formula
C7H8O3
SMILES
CC1=C(OC=C1)C(=O)OC
InChI
InChI=1S/C7H8O3/c1-5-3-4-10-6(5)7(8)9-2/h3-4H,1-2H3
InChIKey
AQQYRDKMXXSIMP-UHFFFAOYSA-N
Compound name
methyl 3-methylfuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

140.04735 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05463 124.7
[M+Na]+ 163.03657 133.9
[M-H]- 139.04007 129.7
[M+NH4]+ 158.08117 147.1
[M+K]+ 179.01051 135.1
[M+H-H2O]+ 123.04461 120.1
[M+HCOO]- 185.04555 149.7
[M+CH3COO]- 199.06120 171.8
[M+Na-2H]- 161.02202 130.9
[M]+ 140.04680 128.5
[M]- 140.04790 128.5
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