CID 247392

5-ethylfuran-2-carboxylic acid

Structural Information

Molecular Formula
C7H8O3
SMILES
CCC1=CC=C(O1)C(=O)O
InChI
InChI=1S/C7H8O3/c1-2-5-3-4-6(10-5)7(8)9/h3-4H,2H2,1H3,(H,8,9)
InChIKey
YIFZPUOIORLHGC-UHFFFAOYSA-N
Compound name
5-ethylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

140.04735 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05463 125.5
[M+Na]+ 163.03657 134.2
[M-H]- 139.04007 129.0
[M+NH4]+ 158.08117 147.1
[M+K]+ 179.01051 134.3
[M+H-H2O]+ 123.04461 121.0
[M+HCOO]- 185.04555 148.9
[M+CH3COO]- 199.06120 169.8
[M+Na-2H]- 161.02202 131.2
[M]+ 140.04680 127.4
[M]- 140.04790 127.4
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