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

8
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

literature stripe

Patent stripe

patents stripe