CID 43810272

2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C12H14O3
SMILES
CC1CC1C2=CC=C(O2)C3CC3C(=O)O
InChI
InChI=1S/C12H14O3/c1-6-4-7(6)10-2-3-11(15-10)8-5-9(8)12(13)14/h2-3,6-9H,4-5H2,1H3,(H,13,14)
InChIKey
IHYYDFPEYUTJFS-UHFFFAOYSA-N
Compound name
2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 128.5
[M+Na]+ 229.08352 141.0
[M+NH4]+ 224.12812 136.7
[M+K]+ 245.05746 141.9
[M-H]- 205.08702 144.2
[M+Na-2H]- 227.06897 138.9
[M]+ 206.09375 136.6
[M]- 206.09485 136.6
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.