CID 46739426

4-(3-(3-bromophenyl)propyl)morpholine

Structural Information

Molecular Formula
C13H18BrNO
SMILES
C1COCCN1CCCC2=CC(=CC=C2)Br
InChI
InChI=1S/C13H18BrNO/c14-13-5-1-3-12(11-13)4-2-6-15-7-9-16-10-8-15/h1,3,5,11H,2,4,6-10H2
InChIKey
BRDFMYRGMMWEOR-UHFFFAOYSA-N
Compound name
4-[3-(3-bromophenyl)propyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

283.0572 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06448 159.4
[M+Na]+ 306.04642 167.4
[M-H]- 282.04992 166.6
[M+NH4]+ 301.09102 176.1
[M+K]+ 322.02036 157.4
[M+H-H2O]+ 266.05446 157.9
[M+HCOO]- 328.05540 175.6
[M+CH3COO]- 342.07105 195.4
[M+Na-2H]- 304.03187 165.8
[M]+ 283.05665 175.6
[M]- 283.05775 175.6
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

patents stripe