CID 67344190

Tert-butyl 3-(3-bromophenoxy)azetidine-1-carboxylate

Structural Information

Molecular Formula
C14H18BrNO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)OC2=CC(=CC=C2)Br
InChI
InChI=1S/C14H18BrNO3/c1-14(2,3)19-13(17)16-8-12(9-16)18-11-6-4-5-10(15)7-11/h4-7,12H,8-9H2,1-3H3
InChIKey
GPNDDWSLZVNLRW-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-bromophenoxy)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

327.047 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.05428 159.8
[M+Na]+ 350.03622 168.4
[M-H]- 326.03972 167.2
[M+NH4]+ 345.08082 170.6
[M+K]+ 366.01016 161.7
[M+H-H2O]+ 310.04426 153.9
[M+HCOO]- 372.04520 175.8
[M+CH3COO]- 386.06085 205.6
[M+Na-2H]- 348.02167 164.7
[M]+ 327.04645 187.9
[M]- 327.04755 187.9
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