CID 89037886

Schembl13201185

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

CN1CC(CCC1=O)C=O

InChI

InChI=1S/C7H11NO2/c1-8-4-6(5-9)2-3-7(8)10/h5-6H,2-4H2,1H3

InChIKey

XCFGAKRICHLQHX-UHFFFAOYSA-N

Compound name

1-methyl-6-oxopiperidine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 141.07898 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]+	142.08626	129.2
[M+Na]+	164.06820	140.5
[M+NH4]+	159.11280	137.1
[M+K]+	180.04214	134.9
[M-H]-	140.07170	129.8
[M+Na-2H]-	162.05365	133.7
[M]+	141.07843	130.7
[M]-	141.07953	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe