CID 13109536

2-(furan-2-yl)propanoic acid

Structural Information

Molecular Formula
C7H8O3
SMILES
CC(C1=CC=CO1)C(=O)O
InChI
InChI=1S/C7H8O3/c1-5(7(8)9)6-3-2-4-10-6/h2-5H,1H3,(H,8,9)
InChIKey
RECIZLOZHLQXAC-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

140.04735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.054626 126.8
[M+Na]+ 163.036568 134.3
[M-H]- 139.040074 130.0
[M+NH4]+ 158.081173 148.0
[M+K]+ 179.010508 134.9
[M+H-H2O]+ 123.044610 122.1
[M+HCOO]- 185.045551 149.2
[M+CH3COO]- 199.061201 169.5
[M+Na-2H]- 161.022016 131.8
[M]+ 140.04680142 127.7
[M]- 140.04789858 127.7
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