CID 71517198

2408958-19-8

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CN)CO

InChI

InChI=1S/C12H24N2O3/c1-11(2,3)17-10(16)14-6-4-12(8-13,9-15)5-7-14/h15H,4-9,13H2,1-3H3

InChIKey

ICZZGWFGUCHDSG-UHFFFAOYSA-N

Compound name

tert-butyl 4-(aminomethyl)-4-(hydroxymethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 244.1787 Da
Monoisotopic Mass: 0.1
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]+	245.185976	159.6
[M+Na]+	267.167918	163.7
[M-H]-	243.171424	159.1
[M+NH4]+	262.212523	176.6
[M+K]+	283.141858	162.8
[M+H-H2O]+	227.175960	154.2
[M+HCOO]-	289.176901	174.7
[M+CH3COO]-	303.192551	191.1
[M+Na-2H]-	265.153366	162.4
[M]+	244.17815142	156.2
[M]-	244.17924858	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe