CID 10129928

Oxane-3-carbaldehyde

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: 646
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	120.4
[M+Na]+	137.05730	126.3
[M-H]-	113.06080	124.1
[M+NH4]+	132.10190	141.5
[M+K]+	153.03124	127.3
[M+H-H2O]+	97.065340	115.4
[M+HCOO]-	159.06628	141.4
[M+CH3COO]-	173.08193	166.4
[M+Na-2H]-	135.04275	128.4
[M]+	114.06753	117.8
[M]-	114.06863	117.8

Literature stripe

literature stripe

Patent stripe

patents stripe