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

10
Patents

255.02588 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.033156 150.1
[M+Na]+ 278.015098 159.8
[M-H]- 254.018604 158.1
[M+NH4]+ 273.059703 168.2
[M+K]+ 293.989038 150.3
[M+H-H2O]+ 238.023140 149.2
[M+HCOO]- 300.024081 167.0
[M+CH3COO]- 314.039731 190.8
[M+Na-2H]- 276.000546 157.0
[M]+ 255.02533142 166.1
[M]- 255.02642858 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