CID 214094

27684-92-0

Structural Information

Molecular Formula
C16H26ClNO
SMILES
CCC(C)C(CN(C)C)C1=C(C=CC(=C1)Cl)OCC
InChI
InChI=1S/C16H26ClNO/c1-6-12(3)15(11-18(4)5)14-10-13(17)8-9-16(14)19-7-2/h8-10,12,15H,6-7,11H2,1-5H3
InChIKey
NSIXVLNBYJVILE-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-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 169.4
[M+Na]+ 306.15952 175.3
[M-H]- 282.16302 173.8
[M+NH4]+ 301.20412 187.0
[M+K]+ 322.13346 172.4
[M+H-H2O]+ 266.16756 163.3
[M+HCOO]- 328.16850 186.9
[M+CH3COO]- 342.18415 210.5
[M+Na-2H]- 304.14497 169.0
[M]+ 283.16975 175.5
[M]- 283.17085 175.5
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.