CID 64620

Adamantylcyclopentanamine

Structural Information

Molecular Formula

C₁₅H₂₅N

SMILES

C1CCC(C1)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C15H25N/c1-2-4-14(3-1)16-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14,16H,1-10H2

InChIKey

MVMJLPBRUYERNO-UHFFFAOYSA-N

Compound name

N-cyclopentyladamantan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 219.1987 Da
Monoisotopic Mass: 3.7
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]+	220.205976	147.7
[M+Na]+	242.187918	147.6
[M-H]-	218.191424	145.2
[M+NH4]+	237.232523	174.0
[M+K]+	258.161858	143.0
[M+H-H2O]+	202.195960	140.7
[M+HCOO]-	264.196901	154.7
[M+CH3COO]-	278.212551	155.8
[M+Na-2H]-	240.173366	155.3
[M]+	219.19815142	142.8
[M]-	219.19924858	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe