CID 131419462

2-(4-methyloxan-4-yl)acetaldehyde

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CC1(CCOCC1)CC=O

InChI

InChI=1S/C8H14O2/c1-8(2-5-9)3-6-10-7-4-8/h5H,2-4,6-7H2,1H3

InChIKey

VMQDHALQCPVJEM-UHFFFAOYSA-N

Compound name

2-(4-methyloxan-4-yl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 142.09938 Da
Monoisotopic Mass: 0.7
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	130.7
[M+Na]+	165.08860	141.8
[M+NH4]+	160.13320	140.9
[M+K]+	181.06254	134.0
[M-H]-	141.09210	133.7
[M+Na-2H]-	163.07405	137.1
[M]+	142.09883	133.2
[M]-	142.09993	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe