CID 33639

N,n'-bis(2-chloroethyl)-1,6-hexanediamine dihydrochloride

Structural Information

Molecular Formula

C₁₀H₂₂Cl₂N₂

SMILES

C(CCCNCCCl)CCNCCCl

InChI

InChI=1S/C10H22Cl2N2/c11-5-9-13-7-3-1-2-4-8-14-10-6-12/h13-14H,1-10H2

InChIKey

NQIVACMDPLLNCK-UHFFFAOYSA-N

Compound name

N,N'-bis(2-chloroethyl)hexane-1,6-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 240.116 Da
Monoisotopic Mass: 2.0
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]+	241.12328	157.7
[M+Na]+	263.10522	162.6
[M-H]-	239.10872	156.1
[M+NH4]+	258.14982	176.0
[M+K]+	279.07916	157.2
[M+H-H2O]+	223.11326	153.2
[M+HCOO]-	285.11420	172.4
[M+CH3COO]-	299.12985	197.3
[M+Na-2H]-	261.09067	161.5
[M]+	240.11545	161.4
[M]-	240.11655	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe