CID 512350

Chembl112220

Structural Information

Molecular Formula

C₁₇H₂₉N

SMILES

CC1(CCCN1CC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C17H29N/c1-16(2)4-3-5-18(16)12-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,3-12H2,1-2H3

InChIKey

ARJSFIZQOAKTIG-UHFFFAOYSA-N

Compound name

1-(1-adamantylmethyl)-2,2-dimethylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 247.23 Da
Monoisotopic Mass: 4.3
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]+	248.23728	162.3
[M+Na]+	270.21922	164.1
[M-H]-	246.22272	158.7
[M+NH4]+	265.26382	188.6
[M+K]+	286.19316	158.8
[M+H-H2O]+	230.22726	153.4
[M+HCOO]-	292.22820	166.1
[M+CH3COO]-	306.24385	169.7
[M+Na-2H]-	268.20467	167.6
[M]+	247.22945	159.5
[M]-	247.23055	159.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.