CID 508063

158833-10-4

Structural Information

Molecular Formula

C₁₃H₂₁N

SMILES

C1CC2(C3CC4CC(C3)CC2C4)NC1

InChI

InChI=1S/C13H21N/c1-2-13(14-3-1)11-5-9-4-10(7-11)8-12(13)6-9/h9-12,14H,1-8H2

InChIKey

BCUHESAGKKNPKY-UHFFFAOYSA-N

Compound name

spiro[adamantane-2,2'-pyrrolidine]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 53
Patents: 191.1674 Da
Monoisotopic Mass: 2.5
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]+	192.17468	142.5
[M+Na]+	214.15662	144.0
[M-H]-	190.16012	137.8
[M+NH4]+	209.20122	168.5
[M+K]+	230.13056	139.1
[M+H-H2O]+	174.16466	135.1
[M+HCOO]-	236.16560	146.8
[M+CH3COO]-	250.18125	150.7
[M+Na-2H]-	212.14207	149.9
[M]+	191.16685	137.1
[M]-	191.16795	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe