CID 2733434

84254-97-7

Structural Information

Molecular Formula

C₁₈H₂₅N₃

SMILES

C1CCN(CC1)C2(CCN(CC2)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H25N3/c19-16-18(21-11-5-2-6-12-21)9-13-20(14-10-18)15-17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-15H2

InChIKey

XXZATAXHOSMHKY-UHFFFAOYSA-N

Compound name

1-benzyl-4-piperidin-1-ylpiperidine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 64
Patents: 283.20483 Da
Monoisotopic Mass: 2.8
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]+	284.212106	167.4
[M+Na]+	306.194048	172.7
[M-H]-	282.197554	170.4
[M+NH4]+	301.238653	179.6
[M+K]+	322.167988	164.8
[M+H-H2O]+	266.202090	150.4
[M+HCOO]-	328.203031	177.7
[M+CH3COO]-	342.218681	174.4
[M+Na-2H]-	304.179496	169.7
[M]+	283.20428142	153.9
[M]-	283.20537858	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe