CID 3973870

1-[(pyrrolidin-2-yl)methyl]piperidine

Structural Information

Molecular Formula

C₁₀H₂₀N₂

SMILES

C1CCN(CC1)CC2CCCN2

InChI

InChI=1S/C10H20N2/c1-2-7-12(8-3-1)9-10-5-4-6-11-10/h10-11H,1-9H2

InChIKey

MYIDBVVEYLMRSS-UHFFFAOYSA-N

Compound name

1-(pyrrolidin-2-ylmethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 168.16264 Da
Monoisotopic Mass: 1.2
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]+	169.169916	142.0
[M+Na]+	191.151858	144.6
[M-H]-	167.155364	142.7
[M+NH4]+	186.196463	160.0
[M+K]+	207.125798	142.0
[M+H-H2O]+	151.159900	133.6
[M+HCOO]-	213.160841	157.0
[M+CH3COO]-	227.176491	152.0
[M+Na-2H]-	189.137306	143.7
[M]+	168.16209142	132.3
[M]-	168.16318858	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe