CID 10441893

3-(furan-2-yl)butanoic acid

Structural Information

Molecular Formula
C8H10O3
SMILES
CC(CC(=O)O)C1=CC=CO1
InChI
InChI=1S/C8H10O3/c1-6(5-8(9)10)7-3-2-4-11-7/h2-4,6H,5H2,1H3,(H,9,10)
InChIKey
OAYKXVOHCCDXHA-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

154.06299 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 131.6
[M+Na]+ 177.05221 138.7
[M-H]- 153.05571 134.6
[M+NH4]+ 172.09681 152.2
[M+K]+ 193.02615 139.0
[M+H-H2O]+ 137.06025 126.7
[M+HCOO]- 199.06119 153.7
[M+CH3COO]- 213.07684 172.6
[M+Na-2H]- 175.03766 136.1
[M]+ 154.06244 132.9
[M]- 154.06354 132.9
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