CID 59337716

917898-69-2

Structural Information

Molecular Formula

C₁₁H₂₁NO

SMILES

CC(C)(C)CN1CCC(CC1)C=O

InChI

InChI=1S/C11H21NO/c1-11(2,3)9-12-6-4-10(8-13)5-7-12/h8,10H,4-7,9H2,1-3H3

InChIKey

OXGHOIISYJHFOV-UHFFFAOYSA-N

Compound name

1-(2,2-dimethylpropyl)piperidine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 183.16231 Da
Monoisotopic Mass: 1.9
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]+	184.169586	144.7
[M+Na]+	206.151528	150.0
[M-H]-	182.155034	146.1
[M+NH4]+	201.196133	163.6
[M+K]+	222.125468	148.6
[M+H-H2O]+	166.159570	138.8
[M+HCOO]-	228.160511	161.9
[M+CH3COO]-	242.176161	183.1
[M+Na-2H]-	204.136976	148.9
[M]+	183.16176142	142.2
[M]-	183.16285858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe