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]+ 195.101576 138.4
[M+Na]+ 217.083518 148.2
[M-H]- 193.087024 145.8
[M+NH4]+ 212.128123 153.2
[M+K]+ 233.057458 146.0
[M+H-H2O]+ 177.091560 132.9
[M+HCOO]- 239.092501 160.5
[M+CH3COO]- 253.108151 184.9
[M+Na-2H]- 215.068966 142.1
[M]+ 194.09375142 143.5
[M]- 194.09484858 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.