CID 3066021

Brn 3316831

Structural Information

Molecular Formula
C14H22BrNO2
SMILES
CCN(CC)CCOCC1=C(C=CC(=C1)Br)OC
InChI
InChI=1S/C14H22BrNO2/c1-4-16(5-2)8-9-18-11-12-10-13(15)6-7-14(12)17-3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKey
NHFHSXGYQFGVOF-UHFFFAOYSA-N
Compound name
2-[(5-bromo-2-methoxyphenyl)methoxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0834 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09068 166.9
[M+Na]+ 338.07262 176.2
[M-H]- 314.07612 173.8
[M+NH4]+ 333.11722 185.9
[M+K]+ 354.04656 166.0
[M+H-H2O]+ 298.08066 165.0
[M+HCOO]- 360.08160 188.9
[M+CH3COO]- 374.09725 209.6
[M+Na-2H]- 336.05807 171.3
[M]+ 315.08285 190.7
[M]- 315.08395 190.7
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.