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

37
Patents

154.06299 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 129.6
[M+Na]+ 177.052208 138.4
[M-H]- 153.055714 134.4
[M+NH4]+ 172.096813 151.4
[M+K]+ 193.026148 139.2
[M+H-H2O]+ 137.060250 124.8
[M+HCOO]- 199.061191 154.2
[M+CH3COO]- 213.076841 174.8
[M+Na-2H]- 175.037656 135.2
[M]+ 154.06244142 133.7
[M]- 154.06353858 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