CID 3039004

4-bromo-n-ethyl-n-(2-(2,6-xylyloxy)ethyl)-1-pentylamine oxalate

Structural Information

Molecular Formula
C17H28BrNO
SMILES
CCN(CCCC(C)Br)CCOC1=C(C=CC=C1C)C
InChI
InChI=1S/C17H28BrNO/c1-5-19(11-7-10-16(4)18)12-13-20-17-14(2)8-6-9-15(17)3/h6,8-9,16H,5,7,10-13H2,1-4H3
InChIKey
QVKJBCCBYLRURG-UHFFFAOYSA-N
Compound name
4-bromo-N-[2-(2,6-dimethylphenoxy)ethyl]-N-ethylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.13544 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14272 178.8
[M+Na]+ 364.12466 186.7
[M-H]- 340.12816 185.2
[M+NH4]+ 359.16926 196.7
[M+K]+ 380.09860 175.7
[M+H-H2O]+ 324.13270 176.6
[M+HCOO]- 386.13364 198.6
[M+CH3COO]- 400.14929 216.9
[M+Na-2H]- 362.11011 180.3
[M]+ 341.13489 201.7
[M]- 341.13599 201.7
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.