CID 54038629

1-acetylpiperidine-3-carbaldehyde

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CC(=O)N1CCCC(C1)C=O

InChI

InChI=1S/C8H13NO2/c1-7(11)9-4-2-3-8(5-9)6-10/h6,8H,2-5H2,1H3

InChIKey

SYUMWXVBQIRTKG-UHFFFAOYSA-N

Compound name

1-acetylpiperidine-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 155.09464 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]+	156.10192	134.2
[M+Na]+	178.08386	144.5
[M+NH4]+	173.12846	141.8
[M+K]+	194.05780	139.3
[M-H]-	154.08736	134.5
[M+Na-2H]-	176.06931	138.2
[M]+	155.09409	135.4
[M]-	155.09519	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe