CID 49441

Dtxsid20986231

Structural Information

Molecular Formula
C7H15Cl2N
SMILES
CCN(CCCCl)CCCl
InChI
InChI=1S/C7H15Cl2N/c1-2-10(7-5-9)6-3-4-8/h2-7H2,1H3
InChIKey
DBMATZRZGJCHJD-UHFFFAOYSA-N
Compound name
3-chloro-N-(2-chloroethyl)-N-ethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05815 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06543 139.9
[M+Na]+ 206.04737 147.1
[M-H]- 182.05087 140.4
[M+NH4]+ 201.09197 161.5
[M+K]+ 222.02131 143.9
[M+H-H2O]+ 166.05541 136.4
[M+HCOO]- 228.05635 155.1
[M+CH3COO]- 242.07200 187.3
[M+Na-2H]- 204.03282 144.5
[M]+ 183.05760 144.5
[M]- 183.05870 144.5
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.