CID 16227022

3-[5-(2-methylcyclopropyl)furan-2-yl]propanoic acid

Structural Information

Molecular Formula
C11H14O3
SMILES
CC1CC1C2=CC=C(O2)CCC(=O)O
InChI
InChI=1S/C11H14O3/c1-7-6-9(7)10-4-2-8(14-10)3-5-11(12)13/h2,4,7,9H,3,5-6H2,1H3,(H,12,13)
InChIKey
UGXZHPJNQVWWGB-UHFFFAOYSA-N
Compound name
3-[5-(2-methylcyclopropyl)furan-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

194.0943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 143.3
[M+Na]+ 217.08352 155.5
[M+NH4]+ 212.12812 151.4
[M+K]+ 233.05746 153.8
[M-H]- 193.08702 152.9
[M+Na-2H]- 215.06897 150.1
[M]+ 194.09375 148.7
[M]- 194.09485 148.7
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

No patent data available for this compound.