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 138.4
[M+Na]+ 217.08352 148.2
[M-H]- 193.08702 145.8
[M+NH4]+ 212.12812 153.2
[M+K]+ 233.05746 146.0
[M+H-H2O]+ 177.09156 132.9
[M+HCOO]- 239.09250 160.5
[M+CH3COO]- 253.10815 184.9
[M+Na-2H]- 215.06897 142.1
[M]+ 194.09375 143.5
[M]- 194.09485 143.5
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

No patent data available for this compound.