CID 59337716

1-neopentylpiperidine-4-carbaldehyde

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: 12
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]+	184.16959	144.8
[M+Na]+	206.15153	155.1
[M+NH4]+	201.19613	152.7
[M+K]+	222.12547	149.2
[M-H]-	182.15503	145.5
[M+Na-2H]-	204.13698	149.0
[M]+	183.16176	146.3
[M]-	183.16286	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe