CID 71741923

1158759-16-0

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CC1(CCCN(C1)C(=O)OC(C)(C)C)CN

InChI

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

InChIKey

OTKNVRVCUGATSZ-UHFFFAOYSA-N

Compound name

tert-butyl 3-(aminomethyl)-3-methylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
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]+	229.19106	156.0
[M+Na]+	251.17300	160.7
[M-H]-	227.17650	157.1
[M+NH4]+	246.21760	174.5
[M+K]+	267.14694	160.1
[M+H-H2O]+	211.18104	150.5
[M+HCOO]-	273.18198	172.5
[M+CH3COO]-	287.19763	191.4
[M+Na-2H]-	249.15845	159.2
[M]+	228.18323	153.1
[M]-	228.18433	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe