CID 58079783

1357614-50-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

327.047 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.05428 161.2
[M+Na]+ 350.03622 170.1
[M-H]- 326.03972 167.7
[M+NH4]+ 345.08082 173.3
[M+K]+ 366.01016 162.8
[M+H-H2O]+ 310.04426 156.7
[M+HCOO]- 372.04520 175.9
[M+CH3COO]- 386.06085 202.9
[M+Na-2H]- 348.02167 166.7
[M]+ 327.04645 188.1
[M]- 327.04755 188.1
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