CID 17233943

1-(adamantane-1-carbonyl)piperazine hydrochloride

Structural Information

Molecular Formula

C₁₅H₂₄N₂O

SMILES

C1CN(CCN1)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C15H24N2O/c18-14(17-3-1-16-2-4-17)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,16H,1-10H2

InChIKey

XAFSAELWLMDLKL-UHFFFAOYSA-N

Compound name

1-adamantyl(piperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 248.18886 Da
Monoisotopic Mass: 1.6
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]+	249.19614	157.3
[M+Na]+	271.17808	156.2
[M-H]-	247.18158	150.2
[M+NH4]+	266.22268	177.2
[M+K]+	287.15202	152.0
[M+H-H2O]+	231.18612	147.8
[M+HCOO]-	293.18706	156.3
[M+CH3COO]-	307.20271	162.6
[M+Na-2H]-	269.16353	164.8
[M]+	248.18831	150.3
[M]-	248.18941	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe