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

13
Patents

154.06299 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 131.6
[M+Na]+ 177.052208 138.7
[M-H]- 153.055714 134.6
[M+NH4]+ 172.096813 152.2
[M+K]+ 193.026148 139.0
[M+H-H2O]+ 137.060250 126.7
[M+HCOO]- 199.061191 153.7
[M+CH3COO]- 213.076841 172.6
[M+Na-2H]- 175.037656 136.1
[M]+ 154.06244142 132.9
[M]- 154.06353858 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