CID 2736329

496808-01-6

Structural Information

Molecular Formula

C₁₂H₂₇N₃

SMILES

CCCN(CCC)CCN1CCNCC1

InChI

InChI=1S/C12H27N3/c1-3-7-14(8-4-2)11-12-15-9-5-13-6-10-15/h13H,3-12H2,1-2H3

InChIKey

NQRQMDMOABSDEK-UHFFFAOYSA-N

Compound name

N-(2-piperazin-1-ylethyl)-N-propylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 213.2205 Da
Monoisotopic Mass: 1.4
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]+	214.22778	156.3
[M+Na]+	236.20972	158.1
[M-H]-	212.21322	155.1
[M+NH4]+	231.25432	171.6
[M+K]+	252.18366	156.4
[M+H-H2O]+	196.21776	147.7
[M+HCOO]-	258.21870	172.8
[M+CH3COO]-	272.23435	192.5
[M+Na-2H]-	234.19517	159.0
[M]+	213.21995	152.6
[M]-	213.22105	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe