CID 2756459

705942-70-7

Structural Information

Molecular Formula

C₁₀H₂₁N₃O

SMILES

CC(C)N1CCN(CC1)C(=O)CCN

InChI

InChI=1S/C10H21N3O/c1-9(2)12-5-7-13(8-6-12)10(14)3-4-11/h9H,3-8,11H2,1-2H3

InChIKey

NSIJPXZTZFRONL-UHFFFAOYSA-N

Compound name

3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 199.16846 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]+	200.17574	150.1
[M+Na]+	222.15768	153.9
[M-H]-	198.16118	149.4
[M+NH4]+	217.20228	166.0
[M+K]+	238.13162	152.7
[M+H-H2O]+	182.16572	142.3
[M+HCOO]-	244.16666	166.2
[M+CH3COO]-	258.18231	188.4
[M+Na-2H]-	220.14313	150.9
[M]+	199.16791	145.1
[M]-	199.16901	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe