CID 3149267

4524-96-3

Structural Information

Molecular Formula

C₉H₂₁N₃

SMILES

CCN1CCN(CC1)CCCN

InChI

InChI=1S/C9H21N3/c1-2-11-6-8-12(9-7-11)5-3-4-10/h2-10H2,1H3

InChIKey

XJKFIBMPFSXMBD-UHFFFAOYSA-N

Compound name

3-(4-ethylpiperazin-1-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 171.17355 Da
Monoisotopic Mass: -0.5
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]+	172.18083	143.1
[M+Na]+	194.16277	147.5
[M-H]-	170.16627	142.2
[M+NH4]+	189.20737	160.2
[M+K]+	210.13671	145.7
[M+H-H2O]+	154.17081	135.3
[M+HCOO]-	216.17175	161.0
[M+CH3COO]-	230.18740	183.1
[M+Na-2H]-	192.14822	146.8
[M]+	171.17300	138.3
[M]-	171.17410	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe