CID 59059

101858-28-0

Structural Information

Molecular Formula

C₂₂H₄₅Cl₂N

SMILES

CCCCCCCCCCCCCCCCCCN(CCCl)CCCl

InChI

InChI=1S/C22H45Cl2N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(21-18-23)22-19-24/h2-22H2,1H3

InChIKey

GMQAXCAFAILJQX-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)octadecan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 393.2929 Da
Monoisotopic Mass: 10.3
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]+	394.30018	203.6
[M+Na]+	416.28212	212.2
[M+NH4]+	411.32672	210.3
[M+K]+	432.25606	200.9
[M-H]-	392.28562	203.9
[M+Na-2H]-	414.26757	204.6
[M]+	393.29235	205.4
[M]-	393.29345	205.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe