CID 13310353

3-(furan-3-yl)propanoic acid

Structural Information

Molecular Formula
C7H8O3
SMILES
C1=COC=C1CCC(=O)O
InChI
InChI=1S/C7H8O3/c8-7(9)2-1-6-3-4-10-5-6/h3-5H,1-2H2,(H,8,9)
InChIKey
SPRXJNFEKDNZEI-UHFFFAOYSA-N
Compound name
3-(furan-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

140.04735 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05463 126.3
[M+Na]+ 163.03657 134.0
[M-H]- 139.04007 129.3
[M+NH4]+ 158.08117 147.5
[M+K]+ 179.01051 134.1
[M+H-H2O]+ 123.04461 121.5
[M+HCOO]- 185.04555 149.7
[M+CH3COO]- 199.06120 168.6
[M+Na-2H]- 161.02202 132.5
[M]+ 140.04680 127.8
[M]- 140.04790 127.8
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