CID 512353

Chembl112436

Structural Information

Molecular Formula

C₁₉H₃₃N

SMILES

CC(C)(C)C1CCCN1CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H33N/c1-18(2,3)17-5-4-6-20(17)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,4-13H2,1-3H3

InChIKey

JHTXNHWUEBPBJM-UHFFFAOYSA-N

Compound name

1-(1-adamantylmethyl)-2-tert-butylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 275.2613 Da
Monoisotopic Mass: 5.4
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]+	276.26858	174.0
[M+Na]+	298.25052	174.0
[M-H]-	274.25402	169.9
[M+NH4]+	293.29512	197.4
[M+K]+	314.22446	169.2
[M+H-H2O]+	258.25856	166.3
[M+HCOO]-	320.25950	175.5
[M+CH3COO]-	334.27515	180.2
[M+Na-2H]-	296.23597	178.4
[M]+	275.26075	171.1
[M]-	275.26185	171.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.