CID 603367

84922-05-4

Structural Information

Molecular Formula

C₁₆H₁₈O

SMILES

CC(C)C1=CC=C(C=C1)C2CC2C3=CC=CO3

InChI

InChI=1S/C16H18O/c1-11(2)12-5-7-13(8-6-12)14-10-15(14)16-4-3-9-17-16/h3-9,11,14-15H,10H2,1-2H3

InChIKey

DFAGZULMEQUZCH-UHFFFAOYSA-N

Compound name

2-[2-(4-propan-2-ylphenyl)cyclopropyl]furan

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.13577 Da
Monoisotopic Mass: 4.1
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]+	227.143046	146.2
[M+Na]+	249.124988	155.6
[M-H]-	225.128494	157.6
[M+NH4]+	244.169593	160.3
[M+K]+	265.098928	153.1
[M+H-H2O]+	209.133030	139.6
[M+HCOO]-	271.133971	169.5
[M+CH3COO]-	285.149621	159.9
[M+Na-2H]-	247.110436	150.0
[M]+	226.13522142	150.1
[M]-	226.13631858	150.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.