CID 3047646

Piperidine, 3,4-didehydro-2,2,4,6,6-pentamethyl-

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

CC1=CC(NC(C1)(C)C)(C)C

InChI

InChI=1S/C10H19N/c1-8-6-9(2,3)11-10(4,5)7-8/h6,11H,7H2,1-5H3

InChIKey

AXBXRPOZGNYKMV-UHFFFAOYSA-N

Compound name

2,2,4,6,6-pentamethyl-1,3-dihydropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 153.15175 Da
Monoisotopic Mass: 1.6
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]+	154.15903	132.8
[M+Na]+	176.14097	141.2
[M-H]-	152.14447	134.3
[M+NH4]+	171.18557	156.7
[M+K]+	192.11491	139.3
[M+H-H2O]+	136.14901	128.8
[M+HCOO]-	198.14995	151.5
[M+CH3COO]-	212.16560	176.7
[M+Na-2H]-	174.12642	139.2
[M]+	153.15120	130.4
[M]-	153.15230	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe