CID 91654465

2-cyclopropylfuran-3-carboxylic acid

Structural Information

Molecular Formula
C8H8O3
SMILES
C1CC1C2=C(C=CO2)C(=O)O
InChI
InChI=1S/C8H8O3/c9-8(10)6-3-4-11-7(6)5-1-2-5/h3-5H,1-2H2,(H,9,10)
InChIKey
DVKAHSGVCRCIJY-UHFFFAOYSA-N
Compound name
2-cyclopropylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

152.04735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.054626 125.8
[M+Na]+ 175.036568 136.1
[M-H]- 151.040074 133.4
[M+NH4]+ 170.081173 142.0
[M+K]+ 191.010508 134.7
[M+H-H2O]+ 135.044610 120.6
[M+HCOO]- 197.045551 149.0
[M+CH3COO]- 211.061201 175.1
[M+Na-2H]- 173.022016 131.7
[M]+ 152.04680142 129.5
[M]- 152.04789858 129.5
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