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

124
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 173.2
[M+Na]+ 364.05187 181.6
[M-H]- 340.05537 181.0
[M+NH4]+ 359.09647 188.0
[M+K]+ 380.02581 172.5
[M+H-H2O]+ 324.05991 171.9
[M+HCOO]- 386.06085 186.9
[M+CH3COO]- 400.07650 204.6
[M+Na-2H]- 362.03732 177.7
[M]+ 341.06210 191.3
[M]- 341.06320 191.3
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