CID 23282898

236406-22-7

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CC1(CCN(CC1)C(=O)OC(C)(C)C)CN

InChI

InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-7-5-12(4,9-13)6-8-14/h5-9,13H2,1-4H3

InChIKey

VMTNDQIIDCSDOU-UHFFFAOYSA-N

Compound name

tert-butyl 4-(aminomethyl)-4-methylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 228.18378 Da
Monoisotopic Mass: 1.3
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]+	229.191056	156.0
[M+Na]+	251.172998	160.7
[M-H]-	227.176504	157.1
[M+NH4]+	246.217603	174.5
[M+K]+	267.146938	160.1
[M+H-H2O]+	211.181040	150.5
[M+HCOO]-	273.181981	172.5
[M+CH3COO]-	287.197631	191.4
[M+Na-2H]-	249.158446	159.2
[M]+	228.18323142	153.1
[M]-	228.18432858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe