CID 157568

Tetrahydrofuran-3-carbaldehyde

Structural Information

Molecular Formula

C₅H₈O₂

SMILES

C1COCC1C=O

InChI

InChI=1S/C5H8O2/c6-3-5-1-2-7-4-5/h3,5H,1-2,4H2

InChIKey

GSUBXIVOZXWGKF-UHFFFAOYSA-N

Compound name

oxolane-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2913
Patents: 100.05243 Da
Monoisotopic Mass: -0.3
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]+	101.05971	116.4
[M+Na]+	123.04165	123.7
[M-H]-	99.045154	120.4
[M+NH4]+	118.08625	139.9
[M+K]+	139.01559	124.8
[M+H-H2O]+	83.049690	112.0
[M+HCOO]-	145.05063	139.8
[M+CH3COO]-	159.06628	163.1
[M+Na-2H]-	121.02710	123.6
[M]+	100.05188	115.5
[M]-	100.05298	115.5

Literature stripe

literature stripe

Patent stripe

patents stripe