CID 2736107

827614-51-7

Structural Information

Molecular Formula

C₁₃H₂₉N₃

SMILES

CCCN(CCC)CCCN1CCNCC1

InChI

InChI=1S/C13H29N3/c1-3-8-15(9-4-2)10-5-11-16-12-6-14-7-13-16/h14H,3-13H2,1-2H3

InChIKey

INURTONYJXVENS-UHFFFAOYSA-N

Compound name

3-piperazin-1-yl-N,N-dipropylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 227.23615 Da
Monoisotopic Mass: 1.8
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]+	228.24343	160.7
[M+Na]+	250.22537	162.1
[M-H]-	226.22887	159.3
[M+NH4]+	245.26997	175.4
[M+K]+	266.19931	160.1
[M+H-H2O]+	210.23341	151.8
[M+HCOO]-	272.23435	176.9
[M+CH3COO]-	286.25000	195.6
[M+Na-2H]-	248.21082	162.8
[M]+	227.23560	157.4
[M]-	227.23670	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe