CID 4742414

4489-53-6

Structural Information

Molecular Formula

C₉H₂₁N₃

SMILES

CC(C)N1CCN(CC1)CCN

InChI

InChI=1S/C9H21N3/c1-9(2)12-7-5-11(4-3-10)6-8-12/h9H,3-8,10H2,1-2H3

InChIKey

AIGDWIXUUOVPGQ-UHFFFAOYSA-N

Compound name

2-(4-propan-2-ylpiperazin-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 171.17355 Da
Monoisotopic Mass: -0.1
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	143.6
[M+Na]+	194.162768	147.8
[M-H]-	170.166274	142.9
[M+NH4]+	189.207373	160.7
[M+K]+	210.136708	146.4
[M+H-H2O]+	154.170810	135.9
[M+HCOO]-	216.171751	160.5
[M+CH3COO]-	230.187401	183.9
[M+Na-2H]-	192.148216	146.0
[M]+	171.17300142	138.2
[M]-	171.17409858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe