CID 50986499

1305711-15-2

Structural Information

Molecular Formula

C₁₃H₂₅N₃O₃

SMILES

CC(C)(C)OC(=O)NCCC(=O)N1CCC(CC1)N

InChI

InChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)15-7-4-11(17)16-8-5-10(14)6-9-16/h10H,4-9,14H2,1-3H3,(H,15,18)

InChIKey

JRDSNXLRRQDQDM-UHFFFAOYSA-N

Compound name

tert-butyl N-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.1896 Da
Monoisotopic Mass: 0.0
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]+	272.196876	166.5
[M+Na]+	294.178818	169.0
[M-H]-	270.182324	167.1
[M+NH4]+	289.223423	180.6
[M+K]+	310.152758	168.2
[M+H-H2O]+	254.186860	159.4
[M+HCOO]-	316.187801	183.1
[M+CH3COO]-	330.203451	201.6
[M+Na-2H]-	292.164266	167.2
[M]+	271.18905142	162.8
[M]-	271.19014858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.