CID 66806842

4-(4-bromo-3-methylphenyl)morpholine

Structural Information

Molecular Formula
C11H14BrNO
SMILES
CC1=C(C=CC(=C1)N2CCOCC2)Br
InChI
InChI=1S/C11H14BrNO/c1-9-8-10(2-3-11(9)12)13-4-6-14-7-5-13/h2-3,8H,4-7H2,1H3
InChIKey
VYOUNZXSEMFEBK-UHFFFAOYSA-N
Compound name
4-(4-bromo-3-methylphenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

255.02588 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 148.2
[M+Na]+ 278.01510 152.7
[M+NH4]+ 273.05970 153.8
[M+K]+ 293.98904 151.9
[M-H]- 254.01860 151.9
[M+Na-2H]- 276.00055 152.7
[M]+ 255.02533 148.8
[M]- 255.02643 148.8
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