CID 17750943

65626-23-5

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

C1COCCC1CC=O

InChI

InChI=1S/C7H12O2/c8-4-1-7-2-5-9-6-3-7/h4,7H,1-3,5-6H2

InChIKey

AUCJQPPZTFKDHI-UHFFFAOYSA-N

Compound name

2-(oxan-4-yl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 726
Patents: 128.08372 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]+	129.09100	126.0
[M+Na]+	151.07294	137.2
[M+NH4]+	146.11754	134.9
[M+K]+	167.04688	131.3
[M-H]-	127.07644	129.1
[M+Na-2H]-	149.05839	131.2
[M]+	128.08317	128.3
[M]-	128.08427	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe