PubChemLite - 4-piperidinecarboxylic acid, 2,2,6,6-tetramethyl-, 4,4'-(1,4-cyclohexanediylbis(methylene)) ester (C28H50N2O4)

Structural Information

Molecular Formula

SMILES

CC1(CC(CC(N1)(C)C)C(=O)OCC2CCC(CC2)COC(=O)C3CC(NC(C3)(C)C)(C)C)C

InChI

InChI=1S/C28H50N2O4/c1-25(2)13-21(14-26(3,4)29-25)23(31)33-17-19-9-11-20(12-10-19)18-34-24(32)22-15-27(5,6)30-28(7,8)16-22/h19-22,29-30H,9-18H2,1-8H3

InChIKey

UNMMDHHDJHWFNS-UHFFFAOYSA-N

Compound name

[4-[(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,6,6-tetramethylpiperidine-4-carboxylate

Related CIDs

2D Structure

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]+	479.38432	216.7
[M+Na]+	501.36626	217.3
[M-H]-	477.36976	218.2
[M+NH4]+	496.41086	228.0
[M+K]+	517.34020	214.6
[M+H-H2O]+	461.37430	209.3
[M+HCOO]-	523.37524	218.3
[M+CH3COO]-	537.39089	235.3
[M+Na-2H]-	499.35171	211.0
[M]+	478.37649	209.9
[M]-	478.37759	209.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

479.38432

216.7

[M+Na]+

501.36626

217.3

[M-H]-

477.36976

218.2

[M+NH4]+

496.41086

228.0

[M+K]+

517.34020

214.6

[M+H-H2O]+

461.37430

209.3

[M+HCOO]-

523.37524

218.3

[M+CH3COO]-

537.39089

235.3

[M+Na-2H]-

499.35171

211.0

[M]+

478.37649

209.9

[M]-

478.37759

209.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

4-piperidinecarboxylic acid, 2,2,6,6-tetramethyl-, 4,4'-(1,4-cyclohexanediylbis(methylene)) ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe