CID 2736234

1-[3-(dimethylamino)propyl]piperazine

Structural Information

Molecular Formula

C₉H₂₁N₃

SMILES

CN(C)CCCN1CCNCC1

InChI

InChI=1S/C9H21N3/c1-11(2)6-3-7-12-8-4-10-5-9-12/h10H,3-9H2,1-2H3

InChIKey

YJRGRZJKGMBHIB-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-piperazin-1-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 985
Patents: 171.17355 Da
Monoisotopic Mass: 0.0
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]+	172.180826	143.0
[M+Na]+	194.162768	146.2
[M-H]-	170.166274	142.4
[M+NH4]+	189.207373	160.1
[M+K]+	210.136708	145.2
[M+H-H2O]+	154.170810	135.0
[M+HCOO]-	216.171751	160.6
[M+CH3COO]-	230.187401	183.5
[M+Na-2H]-	192.148216	147.3
[M]+	171.17300142	138.2
[M]-	171.17409858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe