CID 11105573

4-(furan-2-yl)butanoic acid

Structural Information

Molecular Formula
C8H10O3
SMILES
C1=COC(=C1)CCCC(=O)O
InChI
InChI=1S/C8H10O3/c9-8(10)5-1-3-7-4-2-6-11-7/h2,4,6H,1,3,5H2,(H,9,10)
InChIKey
CVWCCODRGZIVCY-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

154.06299 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 131.4
[M+Na]+ 177.05221 141.7
[M+NH4]+ 172.09681 138.9
[M+K]+ 193.02615 139.0
[M-H]- 153.05571 132.7
[M+Na-2H]- 175.03766 135.5
[M]+ 154.06244 133.0
[M]- 154.06354 133.0
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