CID 3010112

Methyl 3-(1-adamantylamino)propanoate

Structural Information

Molecular Formula

C₁₄H₂₃NO₂

SMILES

COC(=O)CCNC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C14H23NO2/c1-17-13(16)2-3-15-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,15H,2-9H2,1H3

InChIKey

AETPTMAGISCGHF-UHFFFAOYSA-N

Compound name

methyl 3-(1-adamantylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 237.17288 Da
Monoisotopic Mass: 2.8
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]+	238.180156	156.3
[M+Na]+	260.162098	156.9
[M-H]-	236.165604	151.0
[M+NH4]+	255.206703	180.4
[M+K]+	276.136038	154.4
[M+H-H2O]+	220.170140	150.1
[M+HCOO]-	282.171081	163.4
[M+CH3COO]-	296.186731	164.1
[M+Na-2H]-	258.147546	166.3
[M]+	237.17233142	157.1
[M]-	237.17342858	157.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.