CID 59425

N-beta-carbethoxyethyladamantanamine hydrochloride

Structural Information

Molecular Formula

C₁₅H₂₅NO₂

SMILES

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

InChI

InChI=1S/C15H25NO2/c1-2-18-14(17)3-4-16-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,16H,2-10H2,1H3

InChIKey

ITGXLOXJZKESRU-UHFFFAOYSA-N

Compound name

ethyl 3-(1-adamantylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 251.18852 Da
Monoisotopic Mass: 3.2
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]+	252.195796	160.9
[M+Na]+	274.177738	161.0
[M-H]-	250.181244	155.3
[M+NH4]+	269.222343	184.4
[M+K]+	290.151678	158.3
[M+H-H2O]+	234.185780	154.5
[M+HCOO]-	296.186721	167.6
[M+CH3COO]-	310.202371	168.2
[M+Na-2H]-	272.163186	170.3
[M]+	251.18797142	161.9
[M]-	251.18906858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe