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 150.1
[M+Na]+ 278.01510 159.8
[M-H]- 254.01860 158.1
[M+NH4]+ 273.05970 168.2
[M+K]+ 293.98904 150.3
[M+H-H2O]+ 238.02314 149.2
[M+HCOO]- 300.02408 167.0
[M+CH3COO]- 314.03973 190.8
[M+Na-2H]- 276.00055 157.0
[M]+ 255.02533 166.1
[M]- 255.02643 166.1
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