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: 26
Patents: 327.047 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	328.054276	159.8
[M+Na]+	350.036218	168.4
[M-H]-	326.039724	167.2
[M+NH4]+	345.080823	170.6
[M+K]+	366.010158	161.7
[M+H-H2O]+	310.044260	153.9
[M+HCOO]-	372.045201	175.8
[M+CH3COO]-	386.060851	205.6
[M+Na-2H]-	348.021666	164.7
[M]+	327.04645142	187.9
[M]-	327.04754858	187.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe