CID 3066318

Triethylamine, 2-(5-bromo-2-pentyloxybenzyloxy)-

Structural Information

Molecular Formula
C18H30BrNO2
SMILES
CCCCCOC1=C(C=C(C=C1)Br)COCCN(CC)CC
InChI
InChI=1S/C18H30BrNO2/c1-4-7-8-12-22-18-10-9-17(19)14-16(18)15-21-13-11-20(5-2)6-3/h9-10,14H,4-8,11-13,15H2,1-3H3
InChIKey
OKLNKVUJLBLOSU-UHFFFAOYSA-N
Compound name
2-[(5-bromo-2-pentoxyphenyl)methoxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.146 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15328 185.4
[M+Na]+ 394.13522 192.9
[M-H]- 370.13872 191.4
[M+NH4]+ 389.17982 202.1
[M+K]+ 410.10916 181.8
[M+H-H2O]+ 354.14326 182.6
[M+HCOO]- 416.14420 206.0
[M+CH3COO]- 430.15985 220.7
[M+Na-2H]- 392.12067 187.6
[M]+ 371.14545 210.5
[M]- 371.14655 210.5
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.