CID 129920958

1195703-99-1

Structural Information

Molecular Formula
C7H15Cl2N
SMILES
CN(C)C(CCCl)CCCl
InChI
InChI=1S/C7H15Cl2N/c1-10(2)7(3-5-8)4-6-9/h7H,3-6H2,1-2H3
InChIKey
WTYDWAWBHZDIJZ-UHFFFAOYSA-N
Compound name
1,5-dichloro-N,N-dimethylpentan-3-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 139.8
[M+Na]+ 206.04737 146.8
[M-H]- 182.05087 140.6
[M+NH4]+ 201.09197 161.4
[M+K]+ 222.02131 144.1
[M+H-H2O]+ 166.05541 136.5
[M+HCOO]- 228.05635 154.2
[M+CH3COO]- 242.07200 188.1
[M+Na-2H]- 204.03282 143.3
[M]+ 183.05760 143.9
[M]- 183.05870 143.9
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.