CID 2736106

1-(3-diethylaminopropyl)piperazine

Structural Information

Molecular Formula

C₁₁H₂₅N₃

SMILES

CCN(CC)CCCN1CCNCC1

InChI

InChI=1S/C11H25N3/c1-3-13(4-2)8-5-9-14-10-6-12-7-11-14/h12H,3-11H2,1-2H3

InChIKey

GNKLMCASMJQZKH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 199.20485 Da
Monoisotopic Mass: 0.7
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]+	200.21213	151.9
[M+Na]+	222.19407	154.2
[M-H]-	198.19757	150.9
[M+NH4]+	217.23867	167.8
[M+K]+	238.16801	152.7
[M+H-H2O]+	182.20211	143.5
[M+HCOO]-	244.20305	168.8
[M+CH3COO]-	258.21870	189.5
[M+Na-2H]-	220.17952	155.1
[M]+	199.20430	147.8
[M]-	199.20540	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe