CID 3063963

Brn 0281529

Structural Information

Molecular Formula
C18H28BrNO3
SMILES
CCCCCOC1=C(C=C(C=C1)Br)COCCN2CCOCC2
InChI
InChI=1S/C18H28BrNO3/c1-2-3-4-10-23-18-6-5-17(19)14-16(18)15-22-13-9-20-7-11-21-12-8-20/h5-6,14H,2-4,7-13,15H2,1H3
InChIKey
DVJPPCNBAWWWKJ-UHFFFAOYSA-N
Compound name
4-[2-[(5-bromo-2-pentoxyphenyl)methoxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.12527 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.13255 187.2
[M+Na]+ 408.11449 193.5
[M-H]- 384.11799 193.6
[M+NH4]+ 403.15909 199.9
[M+K]+ 424.08843 183.3
[M+H-H2O]+ 368.12253 184.2
[M+HCOO]- 430.12347 201.9
[M+CH3COO]- 444.13912 214.2
[M+Na-2H]- 406.09994 190.2
[M]+ 385.12472 207.9
[M]- 385.12582 207.9
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.