CID 43556576

Tert-butyl 2-(4-aminopiperidin-1-yl)acetate

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)CN1CCC(CC1)N

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)8-13-6-4-9(12)5-7-13/h9H,4-8,12H2,1-3H3

InChIKey

PCLSFENZMOENCP-UHFFFAOYSA-N

Compound name

tert-butyl 2-(4-aminopiperidin-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 214.16812 Da
Monoisotopic Mass: 0.8
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]+	215.175396	152.5
[M+Na]+	237.157338	156.6
[M-H]-	213.160844	153.3
[M+NH4]+	232.201943	169.4
[M+K]+	253.131278	155.8
[M+H-H2O]+	197.165380	146.1
[M+HCOO]-	259.166321	169.3
[M+CH3COO]-	273.181971	189.5
[M+Na-2H]-	235.142786	154.8
[M]+	214.16757142	148.9
[M]-	214.16866858	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe