CID 10351

3-furaldehyde

Structural Information

Molecular Formula

C₅H₄O₂

SMILES

C1=COC=C1C=O

InChI

InChI=1S/C5H4O2/c6-3-5-1-2-7-4-5/h1-4H

InChIKey

AZVSIHIBYRHSLB-UHFFFAOYSA-N

Compound name

furan-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 4593
Patents: 96.021126 Da
Monoisotopic Mass: 0.5
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]+	97.028402	113.8
[M+Na]+	119.01034	126.1
[M+NH4]+	114.05495	122.9
[M+K]+	134.98428	122.5
[M-H]-	95.013850	116.5
[M+Na-2H]-	116.99579	120.3
[M]+	96.020577	116.2
[M]-	96.021675	116.2

Literature stripe

literature stripe

Patent stripe

patents stripe