CID 83669919

1236121-41-7

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CC1CN(CCC1CN)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H24N2O2/c1-9-8-14(6-5-10(9)7-13)11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3

InChIKey

JXSABJPGAQYNHM-UHFFFAOYSA-N

Compound name

tert-butyl 4-(aminomethyl)-3-methylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	229.19106	156.9
[M+Na]+	251.17300	161.7
[M-H]-	227.17650	158.0
[M+NH4]+	246.21760	173.7
[M+K]+	267.14694	160.6
[M+H-H2O]+	211.18104	150.7
[M+HCOO]-	273.18198	173.3
[M+CH3COO]-	287.19763	193.1
[M+Na-2H]-	249.15845	158.0
[M]+	228.18323	154.0
[M]-	228.18433	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe