CID 84765312

1-cyclobutylpiperidine-4-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

C1CC(C1)N2CCC(CC2)C=O

InChI

InChI=1S/C10H17NO/c12-8-9-4-6-11(7-5-9)10-2-1-3-10/h8-10H,1-7H2

InChIKey

NNEINOCBKRWDSJ-UHFFFAOYSA-N

Compound name

1-cyclobutylpiperidine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 167.13101 Da
Monoisotopic Mass: 1.1
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]+	168.13829	137.8
[M+Na]+	190.12023	144.1
[M+NH4]+	185.16483	142.6
[M+K]+	206.09417	139.6
[M-H]-	166.12373	137.8
[M+Na-2H]-	188.10568	140.9
[M]+	167.13046	137.3
[M]-	167.13156	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe