CID 214143

27778-78-5

Structural Information

Molecular Formula
C15H24ClNO
SMILES
CCC(C)C(CN(C)C)C1=CC(=C(C=C1)OC)Cl
InChI
InChI=1S/C15H24ClNO/c1-6-11(2)13(10-17(3)4)12-7-8-15(18-5)14(16)9-12/h7-9,11,13H,6,10H2,1-5H3
InChIKey
FLPXRJWWTNHJSL-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-methoxyphenyl)-N,N,3-trimethylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.15463 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16191 163.9
[M+Na]+ 292.14385 176.1
[M+NH4]+ 287.18845 172.4
[M+K]+ 308.11779 169.1
[M-H]- 268.14735 166.9
[M+Na-2H]- 290.12930 169.6
[M]+ 269.15408 166.8
[M]- 269.15518 166.8
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.