CID 14627376

202991-92-2

Structural Information

Molecular Formula

C₉H₁₉N₃

SMILES

CN1CCN(CC1)C2CCNC2

InChI

InChI=1S/C9H19N3/c1-11-4-6-12(7-5-11)9-2-3-10-8-9/h9-10H,2-8H2,1H3

InChIKey

SCNMGRFCMUWUNN-UHFFFAOYSA-N

Compound name

1-methyl-4-pyrrolidin-3-ylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 169.1579 Da
Monoisotopic Mass: -0.2
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]+	170.16518	142.4
[M+Na]+	192.14712	146.4
[M-H]-	168.15062	142.2
[M+NH4]+	187.19172	159.3
[M+K]+	208.12106	143.9
[M+H-H2O]+	152.15516	133.5
[M+HCOO]-	214.15610	156.4
[M+CH3COO]-	228.17175	152.4
[M+Na-2H]-	190.13257	143.7
[M]+	169.15735	133.3
[M]-	169.15845	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe