CID 15686845

2-propylfuran-3-carboxylic acid

Structural Information

Molecular Formula
C8H10O3
SMILES
CCCC1=C(C=CO1)C(=O)O
InChI
InChI=1S/C8H10O3/c1-2-3-7-6(8(9)10)4-5-11-7/h4-5H,2-3H2,1H3,(H,9,10)
InChIKey
PPMJYIYLTWFJBM-UHFFFAOYSA-N
Compound name
2-propylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

154.06299 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 130.8
[M+Na]+ 177.05221 141.5
[M+NH4]+ 172.09681 138.3
[M+K]+ 193.02615 139.0
[M-H]- 153.05571 132.2
[M+Na-2H]- 175.03766 134.8
[M]+ 154.06244 132.5
[M]- 154.06354 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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