CID 122416

29589-40-0

Structural Information

Molecular Formula

C₉H₂₁N₃

SMILES

CCN(C)CN1CCN(CC1)C

InChI

InChI=1S/C9H21N3/c1-4-10(2)9-12-7-5-11(3)6-8-12/h4-9H2,1-3H3

InChIKey

LPSQYUPNPBUYKQ-UHFFFAOYSA-N

Compound name

N-methyl-N-[(4-methylpiperazin-1-yl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 171.17355 Da
Monoisotopic Mass: 0.6
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	142.4
[M+Na]+	194.16277	146.9
[M-H]-	170.16627	143.6
[M+NH4]+	189.20737	160.5
[M+K]+	210.13671	146.9
[M+H-H2O]+	154.17081	134.4
[M+HCOO]-	216.17175	161.4
[M+CH3COO]-	230.18740	187.3
[M+Na-2H]-	192.14822	146.4
[M]+	171.17300	139.9
[M]-	171.17410	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe