CID 214144

27778-80-9

Structural Information

Molecular Formula
C16H26ClNO
SMILES
CCC(C)C(CN(C)C)C1=CC(=C(C=C1)OCC)Cl
InChI
InChI=1S/C16H26ClNO/c1-6-12(3)14(11-18(4)5)13-8-9-16(19-7-2)15(17)10-13/h8-10,12,14H,6-7,11H2,1-5H3
InChIKey
DYGSHKTZVHORCX-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-ethoxyphenyl)-N,N,3-trimethylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1703 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17758 168.5
[M+Na]+ 306.15952 180.4
[M+NH4]+ 301.20412 176.7
[M+K]+ 322.13346 173.2
[M-H]- 282.16302 171.4
[M+Na-2H]- 304.14497 173.8
[M]+ 283.16975 171.3
[M]- 283.17085 171.3
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.