CID 3022065

Morpholine, 4-(beta-bromophenethyl)-, hydrobromide

Structural Information

Molecular Formula
C12H16BrNO
SMILES
C1COCCN1CC(C2=CC=CC=C2)Br
InChI
InChI=1S/C12H16BrNO/c13-12(11-4-2-1-3-5-11)10-14-6-8-15-9-7-14/h1-5,12H,6-10H2
InChIKey
YMUNCRNSXMZKFW-UHFFFAOYSA-N
Compound name
4-(2-bromo-2-phenylethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.04153 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.048806 155.6
[M+Na]+ 292.030748 162.8
[M-H]- 268.034254 162.7
[M+NH4]+ 287.075353 172.4
[M+K]+ 308.004688 153.4
[M+H-H2O]+ 252.038790 154.2
[M+HCOO]- 314.039731 171.1
[M+CH3COO]- 328.055381 192.4
[M+Na-2H]- 290.016196 162.0
[M]+ 269.04098142 170.5
[M]- 269.04207858 170.5
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.