CID 10129928

77342-93-9

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C1CC(COC1)C=O

InChI

InChI=1S/C6H10O2/c7-4-6-2-1-3-8-5-6/h4,6H,1-3,5H2

InChIKey

KYHPVAHPKYNKOR-UHFFFAOYSA-N

Compound name

oxane-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 630
Patents: 114.06808 Da
Monoisotopic Mass: 0.0
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]+	115.07536	121.5
[M+Na]+	137.05730	132.9
[M+NH4]+	132.10190	130.6
[M+K]+	153.03124	127.3
[M-H]-	113.06080	124.6
[M+Na-2H]-	135.04275	126.9
[M]+	114.06753	123.9
[M]-	114.06863	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe