CID 512345

Chembl320556

Structural Information

Molecular Formula

C₁₇H₂₉N

SMILES

CN(C)C1(CCCC1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H29N/c1-18(2)17(5-3-4-6-17)16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15H,3-12H2,1-2H3

InChIKey

CZNGXPOCJBIUCY-UHFFFAOYSA-N

Compound name

1-(1-adamantyl)-N,N-dimethylcyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 247.23 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]+	248.23728	160.1
[M+Na]+	270.21922	160.2
[M-H]-	246.22272	158.7
[M+NH4]+	265.26382	187.6
[M+K]+	286.19316	156.2
[M+H-H2O]+	230.22726	152.0
[M+HCOO]-	292.22820	166.5
[M+CH3COO]-	306.24385	167.9
[M+Na-2H]-	268.20467	166.2
[M]+	247.22945	156.9
[M]-	247.23055	156.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.