CID 21934652

138022-02-3

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC

InChI

InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-7-5-10(6-8-14)9-13-4/h10,13H,5-9H2,1-4H3

InChIKey

FXEYGOYVUJFORB-UHFFFAOYSA-N

Compound name

tert-butyl 4-(methylaminomethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 265
Patents: 228.18378 Da
Monoisotopic Mass: 1.4
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	156.8
[M+Na]+	251.172998	160.5
[M-H]-	227.176504	158.0
[M+NH4]+	246.217603	173.4
[M+K]+	267.146938	159.8
[M+H-H2O]+	211.181040	150.1
[M+HCOO]-	273.181981	173.8
[M+CH3COO]-	287.197631	192.5
[M+Na-2H]-	249.158446	159.6
[M]+	228.18323142	154.5
[M]-	228.18432858	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe