CID 512340

Chembl113457

Structural Information

Molecular Formula

C₁₅H₂₅N

SMILES

CN1CCCC1C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C15H25N/c1-16-4-2-3-14(16)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14H,2-10H2,1H3

InChIKey

SWORWWUKPHSOQK-UHFFFAOYSA-N

Compound name

2-(1-adamantyl)-1-methylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 219.1987 Da
Monoisotopic Mass: 3.7
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]+	220.20598	151.8
[M+Na]+	242.18792	153.2
[M-H]-	218.19142	148.4
[M+NH4]+	237.23252	177.4
[M+K]+	258.16186	148.7
[M+H-H2O]+	202.19596	143.9
[M+HCOO]-	264.19690	156.5
[M+CH3COO]-	278.21255	159.8
[M+Na-2H]-	240.17337	157.7
[M]+	219.19815	148.2
[M]-	219.19925	148.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.