CID 7219854

864244-66-6

Structural Information

Molecular Formula

C₉H₂₁N₃

SMILES

CNCCCN1CCN(CC1)C

InChI

InChI=1S/C9H21N3/c1-10-4-3-5-12-8-6-11(2)7-9-12/h10H,3-9H2,1-2H3

InChIKey

HUGARFACUNSTSF-UHFFFAOYSA-N

Compound name

N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 311
Patents: 171.17355 Da
Monoisotopic Mass: 0.0
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	141.8
[M+Na]+	194.16277	151.6
[M+NH4]+	189.20737	149.6
[M+K]+	210.13671	145.1
[M-H]-	170.16627	143.2
[M+Na-2H]-	192.14822	146.3
[M]+	171.17300	143.3
[M]-	171.17410	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe