CID 215293

35384-89-5

Structural Information

Molecular Formula
C14H21Cl2N
SMILES
CCC(C)C(CN(C)C)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C14H21Cl2N/c1-5-10(2)13(9-17(3)4)12-7-6-11(15)8-14(12)16/h6-8,10,13H,5,9H2,1-4H3
InChIKey
PYSWXXZEXRHUII-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-N,N,3-trimethylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1051 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11238 162.5
[M+Na]+ 296.09432 169.7
[M-H]- 272.09782 166.5
[M+NH4]+ 291.13892 180.9
[M+K]+ 312.06826 165.2
[M+H-H2O]+ 256.10236 157.7
[M+HCOO]- 318.10330 175.4
[M+CH3COO]- 332.11895 206.9
[M+Na-2H]- 294.07977 162.5
[M]+ 273.10455 167.5
[M]- 273.10565 167.5
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.