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 164.6
[M+Na]+ 292.14385 170.9
[M-H]- 268.14735 169.2
[M+NH4]+ 287.18845 182.8
[M+K]+ 308.11779 168.3
[M+H-H2O]+ 252.15189 158.7
[M+HCOO]- 314.15283 182.4
[M+CH3COO]- 328.16848 207.5
[M+Na-2H]- 290.12930 164.8
[M]+ 269.15408 170.3
[M]- 269.15518 170.3
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.