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

74
Patents

154.06299 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 131.1
[M+Na]+ 177.052208 138.3
[M-H]- 153.055714 133.9
[M+NH4]+ 172.096813 151.7
[M+K]+ 193.026148 138.2
[M+H-H2O]+ 137.060250 126.0
[M+HCOO]- 199.061191 154.1
[M+CH3COO]- 213.076841 171.7
[M+Na-2H]- 175.037656 136.8
[M]+ 154.06244142 133.0
[M]- 154.06353858 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