CID 12332585

Ethyl 5-methylfuran-3-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

154.06299 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 130.3
[M+Na]+ 177.05221 141.5
[M+NH4]+ 172.09681 138.2
[M+K]+ 193.02615 138.8
[M-H]- 153.05571 132.2
[M+Na-2H]- 175.03766 134.9
[M]+ 154.06244 132.3
[M]- 154.06354 132.3
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