CID 53399259

863561-70-0

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₃

SMILES

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

InChI

InChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-7-5-12(9-13,16-4)6-8-14/h5-9,13H2,1-4H3

InChIKey

ZIYOADOXUKBYLJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 244.1787 Da
Monoisotopic Mass: 0.4
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]+	245.18598	158.8
[M+Na]+	267.16792	163.4
[M-H]-	243.17142	159.8
[M+NH4]+	262.21252	176.5
[M+K]+	283.14186	163.3
[M+H-H2O]+	227.17596	153.1
[M+HCOO]-	289.17690	175.5
[M+CH3COO]-	303.19255	193.5
[M+Na-2H]-	265.15337	162.1
[M]+	244.17815	157.3
[M]-	244.17925	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe