CID 511921

Chembl115746

Structural Information

Molecular Formula

C₁₇H₂₉N

SMILES

CCN1CCCCC1C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C17H29N/c1-2-18-6-4-3-5-16(18)17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17H,2-11H2,1H3

InChIKey

XLAGMECHVFKECM-UHFFFAOYSA-N

Compound name

2-(2-adamantyl)-1-ethylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 247.23 Da
Monoisotopic Mass: 4.9
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]+	248.23728	159.5
[M+Na]+	270.21922	158.4
[M-H]-	246.22272	155.2
[M+NH4]+	265.26382	180.1
[M+K]+	286.19316	154.1
[M+H-H2O]+	230.22726	150.8
[M+HCOO]-	292.22820	161.2
[M+CH3COO]-	306.24385	165.7
[M+Na-2H]-	268.20467	165.0
[M]+	247.22945	154.3
[M]-	247.23055	154.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.