CID 3012263

Chembl308418

Structural Information

Molecular Formula

C₁₇H₂₉N

SMILES

CCCN1CCC(C1)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C17H29N/c1-2-4-18-5-3-14(11-18)17-15-7-12-6-13(9-15)10-16(17)8-12/h12-17H,2-11H2,1H3

InChIKey

KXVCFBBFQFJYJW-UHFFFAOYSA-N

Compound name

3-(2-adamantyl)-1-propylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 247.23 Da
Monoisotopic Mass: 4.9
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	160.1
[M+Na]+	270.21922	160.2
[M-H]-	246.22272	156.3
[M+NH4]+	265.26382	182.8
[M+K]+	286.19316	155.6
[M+H-H2O]+	230.22726	152.7
[M+HCOO]-	292.22820	164.1
[M+CH3COO]-	306.24385	167.2
[M+Na-2H]-	268.20467	163.6
[M]+	247.22945	157.2
[M]-	247.23055	157.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.