CID 141336490

Ns00114716

Structural Information

Molecular Formula

C₂₄H₅₁N₃

SMILES

CCCCCCCCCCCCCCCCCCNCCN1CCNCC1

InChI

InChI=1S/C24H51N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-22-27-23-20-26-21-24-27/h25-26H,2-24H2,1H3

InChIKey

SOMFDTHETJMKPH-UHFFFAOYSA-N

Compound name

N-(2-piperazin-1-ylethyl)octadecan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 381.4083 Da
Monoisotopic Mass: 8.0
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]+	382.415576	206.0
[M+Na]+	404.397518	202.5
[M-H]-	380.401024	200.9
[M+NH4]+	399.442123	213.7
[M+K]+	420.371458	196.4
[M+H-H2O]+	364.405560	195.2
[M+HCOO]-	426.406501	218.0
[M+CH3COO]-	440.422151	225.0
[M+Na-2H]-	402.382966	203.4
[M]+	381.40775142	205.5
[M]-	381.40884858	205.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.