CID 512342

Chembl325534

Structural Information

Molecular Formula

C₁₈H₃₁N

SMILES

CCCCN1CCCC1C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H31N/c1-2-3-6-19-7-4-5-17(19)18-11-14-8-15(12-18)10-16(9-14)13-18/h14-17H,2-13H2,1H3

InChIKey

OMWZNCMIRREADP-UHFFFAOYSA-N

Compound name

2-(1-adamantyl)-1-butylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 261.24564 Da
Monoisotopic Mass: 5.0
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]+	262.25292	165.4
[M+Na]+	284.23486	165.4
[M-H]-	260.23836	161.3
[M+NH4]+	279.27946	189.2
[M+K]+	300.20880	160.2
[M+H-H2O]+	244.24290	156.9
[M+HCOO]-	306.24384	169.0
[M+CH3COO]-	320.25949	172.0
[M+Na-2H]-	282.22031	169.6
[M]+	261.24509	162.6
[M]-	261.24619	162.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.