CID 113476

3-furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester

Structural Information

Molecular Formula
C10H16O3
SMILES
CCC1CC(=C(O1)C)C(=O)OCC
InChI
InChI=1S/C10H16O3/c1-4-8-6-9(7(3)13-8)10(11)12-5-2/h8H,4-6H2,1-3H3
InChIKey
AQGIXJDBFOHCNW-UHFFFAOYSA-N
Compound name
ethyl 2-ethyl-5-methyl-2,3-dihydrofuran-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

184.10994 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 140.2
[M+Na]+ 207.09916 148.0
[M-H]- 183.10266 144.6
[M+NH4]+ 202.14376 161.0
[M+K]+ 223.07310 148.5
[M+H-H2O]+ 167.10720 135.3
[M+HCOO]- 229.10814 162.6
[M+CH3COO]- 243.12379 182.4
[M+Na-2H]- 205.08461 143.1
[M]+ 184.10939 144.0
[M]- 184.11049 144.0
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