CID 363844

Nsc629109

Structural Information

Molecular Formula

C₁₉H₂₅NO

SMILES

C1C2CC3CC1CC(C2)(C3)NCCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H25NO/c21-18(17-4-2-1-3-5-17)6-7-20-19-11-14-8-15(12-19)10-16(9-14)13-19/h1-5,14-16,20H,6-13H2

InChIKey

UHONZWXJELFMEX-UHFFFAOYSA-N

Compound name

3-(1-adamantylamino)-1-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 283.1936 Da
Monoisotopic Mass: 4.3
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]+	284.200876	165.1
[M+Na]+	306.182818	164.7
[M-H]-	282.186324	162.5
[M+NH4]+	301.227423	186.7
[M+K]+	322.156758	160.1
[M+H-H2O]+	266.190860	156.4
[M+HCOO]-	328.191801	171.9
[M+CH3COO]-	342.207451	171.9
[M+Na-2H]-	304.168266	174.5
[M]+	283.19305142	163.5
[M]-	283.19414858	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe