CID 16227021

875159-65-2

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

CC1CC1C2=CC=C(O2)/C=C/C(=O)O

InChI

InChI=1S/C11H12O3/c1-7-6-9(7)10-4-2-8(14-10)3-5-11(12)13/h2-5,7,9H,6H2,1H3,(H,12,13)/b5-3+

InChIKey

AWPMLPOPHQPMJY-HWKANZROSA-N

Compound name

(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 192.07864 Da
Monoisotopic Mass: 2.0
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]+	193.08592	143.1
[M+Na]+	215.06786	155.3
[M+NH4]+	210.11246	151.0
[M+K]+	231.04180	153.6
[M-H]-	191.07136	152.5
[M+Na-2H]-	213.05331	149.7
[M]+	192.07809	148.4
[M]-	192.07919	148.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.