CID 595339

17920-88-6

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

CC(C)(C1=CC=CO1)C2=CC=CO2

InChI

InChI=1S/C11H12O2/c1-11(2,9-5-3-7-12-9)10-6-4-8-13-10/h3-8H,1-2H3

InChIKey

OFBSTYYRPIFDPM-UHFFFAOYSA-N

Compound name

2-[2-(furan-2-yl)propan-2-yl]furan

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 274
Patents: 176.08372 Da
Monoisotopic Mass: 2.9
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]+	177.090996	134.5
[M+Na]+	199.072938	143.9
[M-H]-	175.076444	143.3
[M+NH4]+	194.117543	155.7
[M+K]+	215.046878	144.6
[M+H-H2O]+	159.080980	130.3
[M+HCOO]-	221.081921	159.9
[M+CH3COO]-	235.097571	177.7
[M+Na-2H]-	197.058386	142.8
[M]+	176.08317142	139.2
[M]-	176.08426858	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe