CID 214386

33132-71-7

Structural Information

Molecular Formula
C14H22ClN
SMILES
CCC(C)C(CN(C)C)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C14H22ClN/c1-5-11(2)14(10-16(3)4)12-6-8-13(15)9-7-12/h6-9,11,14H,5,10H2,1-4H3
InChIKey
QJDYHTSUWFVOBF-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-N,N,3-trimethylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.14407 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15135 157.5
[M+Na]+ 262.13329 163.4
[M-H]- 238.13679 161.9
[M+NH4]+ 257.17789 176.6
[M+K]+ 278.10723 160.4
[M+H-H2O]+ 222.14133 151.7
[M+HCOO]- 284.14227 175.4
[M+CH3COO]- 298.15792 201.4
[M+Na-2H]- 260.11874 158.9
[M]+ 239.14352 161.0
[M]- 239.14462 161.0
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.