CID 12200728

2-isopropylfuran

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

CC(C)C1=CC=CO1

InChI

InChI=1S/C7H10O/c1-6(2)7-4-3-5-8-7/h3-6H,1-2H3

InChIKey

AFOPCURQYRRFRQ-UHFFFAOYSA-N

Compound name

2-propan-2-ylfuran

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1962
Patents: 110.073166 Da
Monoisotopic Mass: 2.1
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]+	111.08044	120.5
[M+Na]+	133.06238	128.5
[M-H]-	109.06589	125.0
[M+NH4]+	128.10699	143.9
[M+K]+	149.03632	129.4
[M+H-H2O]+	93.070426	115.9
[M+HCOO]-	155.07137	144.8
[M+CH3COO]-	169.08702	168.3
[M+Na-2H]-	131.04783	127.4
[M]+	110.07262	121.8
[M]-	110.07371	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe