CID 188914

138356-20-4

Structural Information

Molecular Formula
C13H20Cl2N2
SMILES
CN(C)CCN(C)CCC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C13H20Cl2N2/c1-16(2)8-9-17(3)7-6-11-4-5-12(14)13(15)10-11/h4-5,10H,6-9H2,1-3H3
InChIKey
MGVRNMUKTZOQOW-UHFFFAOYSA-N
Compound name
N'-[2-(3,4-dichlorophenyl)ethyl]-N,N,N'-trimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

132
References

141
Patents

274.10034 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.107616 164.3
[M+Na]+ 297.089558 171.7
[M-H]- 273.093064 169.6
[M+NH4]+ 292.134163 183.0
[M+K]+ 313.063498 167.7
[M+H-H2O]+ 257.097600 158.7
[M+HCOO]- 319.098541 180.8
[M+CH3COO]- 333.114191 210.4
[M+Na-2H]- 295.075006 166.5
[M]+ 274.09979142 170.6
[M]- 274.10088858 170.6
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