CID 10848

Bis(2-chloroethyl)ethylamine

Structural Information

Molecular Formula
C6H13Cl2N
SMILES
CCN(CCCl)CCCl
InChI
InChI=1S/C6H13Cl2N/c1-2-9(5-3-7)6-4-8/h2-6H2,1H3
InChIKey
UQZPGHOJMQTOHB-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chloroethyl)-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

6
References

3348
Patents

169.04251 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.049786 135.2
[M+Na]+ 192.031728 142.8
[M-H]- 168.035234 136.0
[M+NH4]+ 187.076333 157.3
[M+K]+ 208.005668 139.9
[M+H-H2O]+ 152.039770 131.9
[M+HCOO]- 214.040711 150.8
[M+CH3COO]- 228.056361 184.3
[M+Na-2H]- 190.017176 140.4
[M]+ 169.04196142 139.4
[M]- 169.04305858 139.4
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