CID 20317387

3-(oxan-2-yl)propanal

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

C1CCOC(C1)CCC=O

InChI

InChI=1S/C8H14O2/c9-6-3-5-8-4-1-2-7-10-8/h6,8H,1-5,7H2

InChIKey

URKSUFMYAYODSF-UHFFFAOYSA-N

Compound name

3-(oxan-2-yl)propanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 142.09938 Da
Monoisotopic Mass: 0.8
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]+	143.10666	130.5
[M+Na]+	165.08860	141.4
[M+NH4]+	160.13320	139.2
[M+K]+	181.06254	135.4
[M-H]-	141.09210	133.5
[M+Na-2H]-	163.07405	135.4
[M]+	142.09883	132.7
[M]-	142.09993	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe