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]+ 184.065426 139.9
[M+Na]+ 206.047368 147.1
[M-H]- 182.050874 140.4
[M+NH4]+ 201.091973 161.5
[M+K]+ 222.021308 143.9
[M+H-H2O]+ 166.055410 136.4
[M+HCOO]- 228.056351 155.1
[M+CH3COO]- 242.072001 187.3
[M+Na-2H]- 204.032816 144.5
[M]+ 183.05760142 144.5
[M]- 183.05869858 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.