CID 11252124

Ethyl 2-(furan-2-yl)acetate

Structural Information

Molecular Formula
C8H10O3
SMILES
CCOC(=O)CC1=CC=CO1
InChI
InChI=1S/C8H10O3/c1-2-10-8(9)6-7-4-3-5-11-7/h3-5H,2,6H2,1H3
InChIKey
HZCXBPTUYRYPPT-UHFFFAOYSA-N
Compound name
ethyl 2-(furan-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

154.06299 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 130.9
[M+Na]+ 177.05221 141.8
[M+NH4]+ 172.09681 138.8
[M+K]+ 193.02615 138.8
[M-H]- 153.05571 132.7
[M+Na-2H]- 175.03766 135.7
[M]+ 154.06244 132.8
[M]- 154.06354 132.8
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