CID 6603

Pempidine

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

CC1(CCCC(N1C)(C)C)C

InChI

InChI=1S/C10H21N/c1-9(2)7-6-8-10(3,4)11(9)5/h6-8H2,1-5H3

InChIKey

XULIXFLCVXWHRF-UHFFFAOYSA-N

Compound name

1,2,2,6,6-pentamethylpiperidine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 190
References: 9485
Patents: 155.1674 Da
Monoisotopic Mass: 2.3
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]+	156.17468	133.5
[M+Na]+	178.15662	141.2
[M-H]-	154.16012	136.0
[M+NH4]+	173.20122	157.9
[M+K]+	194.13056	140.5
[M+H-H2O]+	138.16466	129.2
[M+HCOO]-	200.16560	152.2
[M+CH3COO]-	214.18125	179.8
[M+Na-2H]-	176.14207	139.4
[M]+	155.16685	131.5
[M]-	155.16795	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe