CID 14263148

4,5-dihydrofuran-2-carbaldehyde

Structural Information

Molecular Formula

C₅H₆O₂

SMILES

C1COC(=C1)C=O

InChI

InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h2,4H,1,3H2

InChIKey

AKEUNKGGNNAMQL-UHFFFAOYSA-N

Compound name

2,3-dihydrofuran-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 98.03678 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]+	99.044056	114.2
[M+Na]+	121.02600	122.5
[M-H]-	97.029504	118.6
[M+NH4]+	116.07060	137.9
[M+K]+	136.99994	123.5
[M+H-H2O]+	81.034040	109.8
[M+HCOO]-	143.03498	139.1
[M+CH3COO]-	157.05063	162.8
[M+Na-2H]-	119.01145	122.4
[M]+	98.036231	114.7
[M]-	98.037329	114.7

Literature stripe

literature stripe

Patent stripe

patents stripe