CID 10888119

Ethyl 3-methylfuran-2-carboxylate

Structural Information

Molecular Formula
C8H10O3
SMILES
CCOC(=O)C1=C(C=CO1)C
InChI
InChI=1S/C8H10O3/c1-3-10-8(9)7-6(2)4-5-11-7/h4-5H,3H2,1-2H3
InChIKey
LSMRKPLDOFLBCT-UHFFFAOYSA-N
Compound name
ethyl 3-methylfuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

154.06299 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 129.6
[M+Na]+ 177.05221 138.4
[M-H]- 153.05571 134.4
[M+NH4]+ 172.09681 151.4
[M+K]+ 193.02615 139.2
[M+H-H2O]+ 137.06025 124.8
[M+HCOO]- 199.06119 154.2
[M+CH3COO]- 213.07684 174.8
[M+Na-2H]- 175.03766 135.2
[M]+ 154.06244 133.7
[M]- 154.06354 133.7
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