CID 57040950

1262316-82-4

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₂

SMILES

CC(C)(C)OC(=O)C1CCN(CC1)CCN

InChI

InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)10-4-7-14(8-5-10)9-6-13/h10H,4-9,13H2,1-3H3

InChIKey

BWSALCBZCUOYGV-UHFFFAOYSA-N

Compound name

tert-butyl 1-(2-aminoethyl)piperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 228.18378 Da
Monoisotopic Mass: 0.7
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	157.0
[M+Na]+	251.17300	160.7
[M-H]-	227.17650	157.7
[M+NH4]+	246.21760	173.3
[M+K]+	267.14694	159.6
[M+H-H2O]+	211.18104	150.4
[M+HCOO]-	273.18198	173.4
[M+CH3COO]-	287.19763	192.6
[M+Na-2H]-	249.15845	158.8
[M]+	228.18323	153.8
[M]-	228.18433	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe