CID 70148

Cyclohexanamine, n,n-bis(2-chloroethyl)-

Structural Information

Molecular Formula
C10H19Cl2N
SMILES
C1CCC(CC1)N(CCCl)CCCl
InChI
InChI=1S/C10H19Cl2N/c11-6-8-13(9-7-12)10-4-2-1-3-5-10/h10H,1-9H2
InChIKey
RAFCIQDIWCBIKJ-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

223.08946 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09674 151.7
[M+Na]+ 246.07868 156.0
[M-H]- 222.08218 154.2
[M+NH4]+ 241.12328 171.1
[M+K]+ 262.05262 152.1
[M+H-H2O]+ 206.08672 146.7
[M+HCOO]- 268.08766 163.3
[M+CH3COO]- 282.10331 192.3
[M+Na-2H]- 244.06413 154.3
[M]+ 223.08891 151.0
[M]- 223.09001 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.