CID 24729638

2613384-63-5

Structural Information

Molecular Formula

C₁₃H₂₄N₂O₄

SMILES

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

InChI

InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-7-5-9(6-8-15)10(14)11(16)18-4/h9-10H,5-8,14H2,1-4H3

InChIKey

KCWQYYUIIOHOLI-UHFFFAOYSA-N

Compound name

tert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 272.1736 Da
Monoisotopic Mass: 0.9
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]+	273.180876	164.9
[M+Na]+	295.162818	168.0
[M-H]-	271.166324	165.6
[M+NH4]+	290.207423	179.2
[M+K]+	311.136758	168.4
[M+H-H2O]+	255.170860	158.3
[M+HCOO]-	317.171801	179.7
[M+CH3COO]-	331.187451	199.5
[M+Na-2H]-	293.148266	164.3
[M]+	272.17305142	162.9
[M]-	272.17414858	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe