CID 66468704

2-(cyclopentylmethyl)-2-methylpyrrolidine

Structural Information

Molecular Formula

C₁₁H₂₁N

SMILES

CC1(CCCN1)CC2CCCC2

InChI

InChI=1S/C11H21N/c1-11(7-4-8-12-11)9-10-5-2-3-6-10/h10,12H,2-9H2,1H3

InChIKey

BWAFSHLDVGFVHP-UHFFFAOYSA-N

Compound name

2-(cyclopentylmethyl)-2-methylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.1674 Da
Monoisotopic Mass: 3.1
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]+	168.174676	142.8
[M+Na]+	190.156618	146.9
[M-H]-	166.160124	145.7
[M+NH4]+	185.201223	166.2
[M+K]+	206.130558	144.4
[M+H-H2O]+	150.164660	136.5
[M+HCOO]-	212.165601	161.1
[M+CH3COO]-	226.181251	174.6
[M+Na-2H]-	188.142066	143.8
[M]+	167.16685142	135.5
[M]-	167.16794858	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.