CID 3039002

1-butylamine, 4-chloro-n-ethyl-n-(2-(2,6-xylyloxy)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C16H26ClNO
SMILES
CCN(CCCCCl)CCOC1=C(C=CC=C1C)C
InChI
InChI=1S/C16H26ClNO/c1-4-18(11-6-5-10-17)12-13-19-16-14(2)8-7-9-15(16)3/h7-9H,4-6,10-13H2,1-3H3
InChIKey
WYFDJLXLZYJHMQ-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-N-ethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1703 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17758 169.7
[M+Na]+ 306.15952 176.1
[M-H]- 282.16302 173.9
[M+NH4]+ 301.20412 187.4
[M+K]+ 322.13346 172.2
[M+H-H2O]+ 266.16756 163.2
[M+HCOO]- 328.16850 189.1
[M+CH3COO]- 342.18415 208.7
[M+Na-2H]- 304.14497 171.6
[M]+ 283.16975 176.9
[M]- 283.17085 176.9
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.