CID 2736234

877-96-3

Structural Information

Molecular Formula

C₉H₂₁N₃

SMILES

CN(C)CCCN1CCNCC1

InChI

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

InChIKey

YJRGRZJKGMBHIB-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-piperazin-1-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 965
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	142.2
[M+Na]+	194.16277	151.2
[M+NH4]+	189.20737	149.9
[M+K]+	210.13671	145.4
[M-H]-	170.16627	143.3
[M+Na-2H]-	192.14822	146.6
[M]+	171.17300	143.4
[M]-	171.17410	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe