CID 28901701

1426228-54-7

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

C1[C@H]([C@@H]1C(=O)O)C2=CC=CO2

InChI

InChI=1S/C8H8O3/c9-8(10)6-4-5(6)7-2-1-3-11-7/h1-3,5-6H,4H2,(H,9,10)/t5-,6-/m1/s1

InChIKey

XYZJHPPIFVPLFP-PHDIDXHHSA-N

Compound name

(1R,2R)-2-(furan-2-yl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 152.04735 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	153.05463	132.4
[M+Na]+	175.03657	144.7
[M+NH4]+	170.08117	141.0
[M+K]+	191.01051	143.5
[M-H]-	151.04007	142.1
[M+Na-2H]-	173.02202	140.0
[M]+	152.04680	137.8
[M]-	152.04790	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe