CID 2737252

224309-80-2

Structural Information

Molecular Formula

C₁₁H₂₃N₃

SMILES

C1CCN(C1)CCCN2CCNCC2

InChI

InChI=1S/C11H23N3/c1-2-7-13(6-1)8-3-9-14-10-4-12-5-11-14/h12H,1-11H2

InChIKey

JAXVYOQQRAMPQD-UHFFFAOYSA-N

Compound name

1-(3-pyrrolidin-1-ylpropyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 150
Patents: 197.1892 Da
Monoisotopic Mass: 0.5
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]+	198.196476	150.6
[M+Na]+	220.178418	152.7
[M-H]-	196.181924	149.6
[M+NH4]+	215.223023	166.0
[M+K]+	236.152358	149.8
[M+H-H2O]+	180.186460	140.9
[M+HCOO]-	242.187401	163.9
[M+CH3COO]-	256.203051	180.4
[M+Na-2H]-	218.163866	151.7
[M]+	197.18865142	141.8
[M]-	197.18974858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe