CID 58097878

Tert-butyl 2-(4-bromophenyl)morpholine-4-carboxylate

Structural Information

Molecular Formula
C15H20BrNO3
SMILES
CC(C)(C)OC(=O)N1CCOC(C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C15H20BrNO3/c1-15(2,3)20-14(18)17-8-9-19-13(10-17)11-4-6-12(16)7-5-11/h4-7,13H,8-10H2,1-3H3
InChIKey
UUIDDBRUOCXTAO-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-bromophenyl)morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

341.06265 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.06993 168.7
[M+Na]+ 364.05187 171.0
[M+NH4]+ 359.09647 172.1
[M+K]+ 380.02581 172.1
[M-H]- 340.05537 170.3
[M+Na-2H]- 362.03732 170.9
[M]+ 341.06210 168.3
[M]- 341.06320 168.3
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