CID 54587545

(2e)-3-(5-ethylfuran-2-yl)prop-2-enoic acid

Structural Information

Molecular Formula
C9H10O3
SMILES
CCC1=CC=C(O1)/C=C/C(=O)O
InChI
InChI=1S/C9H10O3/c1-2-7-3-4-8(12-7)5-6-9(10)11/h3-6H,2H2,1H3,(H,10,11)/b6-5+
InChIKey
COIVWIYBIUGQGM-AATRIKPKSA-N
Compound name
(E)-3-(5-ethylfuran-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

166.06299 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 134.9
[M+Na]+ 189.05221 145.4
[M+NH4]+ 184.09681 142.0
[M+K]+ 205.02615 142.6
[M-H]- 165.05571 136.0
[M+Na-2H]- 187.03766 138.5
[M]+ 166.06244 136.4
[M]- 166.06354 136.4
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