CID 3012261

Chembl66232

Structural Information

Molecular Formula

C₁₅H₂₅N

SMILES

CN1CCC(C1)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C15H25N/c1-16-3-2-12(9-16)15-13-5-10-4-11(7-13)8-14(15)6-10/h10-15H,2-9H2,1H3

InChIKey

DVKCUCTVNFOTIM-UHFFFAOYSA-N

Compound name

3-(2-adamantyl)-1-methylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 219.1987 Da
Monoisotopic Mass: 4.0
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]+	220.20598	150.9
[M+Na]+	242.18792	151.9
[M-H]-	218.19142	147.6
[M+NH4]+	237.23252	174.8
[M+K]+	258.16186	147.8
[M+H-H2O]+	202.19596	143.9
[M+HCOO]-	264.19690	155.7
[M+CH3COO]-	278.21255	158.9
[M+Na-2H]-	240.17337	155.5
[M]+	219.19815	147.5
[M]-	219.19925	147.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.