CID 8029

Furan

Structural Information

Molecular Formula

SMILES

C1=COC=C1

InChI

InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H

InChIKey

YLQBMQCUIZJEEH-UHFFFAOYSA-N

Compound name

furan

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 3450
References: 278719
Patents: 68.026215 Da
Monoisotopic Mass: 1.3
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]+	69.033491	107.2
[M+Na]+	91.015433	119.7
[M+NH4]+	86.060038	117.3
[M+K]+	106.98937	115.7
[M-H]-	67.018939	110.6
[M+Na-2H]-	89.000881	114.7
[M]+	68.025666	109.9
[M]-	68.026764	109.9

Literature stripe

literature stripe

Patent stripe

patents stripe