CID 43140236

5-(2-methylcyclopropyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C9H10O3
SMILES
CC1CC1C2=CC=C(O2)C(=O)O
InChI
InChI=1S/C9H10O3/c1-5-4-6(5)7-2-3-8(12-7)9(10)11/h2-3,5-6H,4H2,1H3,(H,10,11)
InChIKey
PZVUYARJEJLOEQ-UHFFFAOYSA-N
Compound name
5-(2-methylcyclopropyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.06299 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 135.5
[M+Na]+ 189.05221 148.1
[M+NH4]+ 184.09681 144.0
[M+K]+ 205.02615 146.9
[M-H]- 165.05571 145.2
[M+Na-2H]- 187.03766 142.8
[M]+ 166.06244 141.0
[M]- 166.06354 141.0
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

No patent data available for this compound.