CID 57550

N,n-bis(2-chloroethyl)hexan-1-amine

Structural Information

Molecular Formula

C₁₀H₂₁Cl₂N

SMILES

CCCCCCN(CCCl)CCCl

InChI

InChI=1S/C10H21Cl2N/c1-2-3-4-5-8-13(9-6-11)10-7-12/h2-10H2,1H3

InChIKey

ZSYVIRPDAUGJNV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.1051 Da
Monoisotopic Mass: 3.8
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]+	226.11238	153.8
[M+Na]+	248.09432	159.8
[M-H]-	224.09782	153.8
[M+NH4]+	243.13892	173.7
[M+K]+	264.06826	155.8
[M+H-H2O]+	208.10236	149.6
[M+HCOO]-	270.10330	168.1
[M+CH3COO]-	284.11895	196.1
[M+Na-2H]-	246.07977	156.8
[M]+	225.10455	159.6
[M]-	225.10565	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe