CID 366798

52944-12-4

Structural Information

Molecular Formula

C₁₄H₂₁NO₃

SMILES

CCOC(=O)C(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C14H21NO3/c1-2-18-13(17)12(16)15-14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,2-8H2,1H3,(H,15,16)

InChIKey

HOHRNAAMSSTIJQ-UHFFFAOYSA-N

Compound name

ethyl 2-(1-adamantylamino)-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 251.15215 Da
Monoisotopic Mass: 2.9
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]+	252.159426	158.5
[M+Na]+	274.141368	159.0
[M-H]-	250.144874	153.1
[M+NH4]+	269.185973	181.9
[M+K]+	290.115308	157.2
[M+H-H2O]+	234.149410	152.7
[M+HCOO]-	296.150351	164.9
[M+CH3COO]-	310.166001	166.1
[M+Na-2H]-	272.126816	167.6
[M]+	251.15160142	159.3
[M]-	251.15269858	159.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.