CID 64196

24813-21-6

Structural Information

Molecular Formula

C₁₆H₂₀N₂O

SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C16H20N2O/c19-15(14-2-1-3-17-10-14)18-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,10-13H,4-9H2,(H,18,19)

InChIKey

OHZXNEWKZYPAFC-UHFFFAOYSA-N

Compound name

N-(1-adamantyl)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 1
Patents: 256.15756 Da
Monoisotopic Mass: 2.7
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]+	257.16484	155.3
[M+Na]+	279.14678	156.3
[M-H]-	255.15028	152.0
[M+NH4]+	274.19138	176.8
[M+K]+	295.12072	152.4
[M+H-H2O]+	239.15482	146.2
[M+HCOO]-	301.15576	162.1
[M+CH3COO]-	315.17141	162.8
[M+Na-2H]-	277.13223	166.6
[M]+	256.15701	153.4
[M]-	256.15811	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe