CID 165789481

Tert-butyl 3-(1-bromo-2-methylpropan-2-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₂BrNO₂

SMILES

CC(C)(C)OC(=O)N1CC(C1)C(C)(C)CBr

InChI

InChI=1S/C12H22BrNO2/c1-11(2,3)16-10(15)14-6-9(7-14)12(4,5)8-13/h9H,6-8H2,1-5H3

InChIKey

YKIOMMQGNIBCCW-UHFFFAOYSA-N

Compound name

tert-butyl 3-(1-bromo-2-methylpropan-2-yl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.0834 Da
Monoisotopic Mass: 3.1
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]+	292.090676	158.0
[M+Na]+	314.072618	166.3
[M-H]-	290.076124	162.5
[M+NH4]+	309.117223	170.6
[M+K]+	330.046558	159.6
[M+H-H2O]+	274.080660	153.5
[M+HCOO]-	336.081601	171.6
[M+CH3COO]-	350.097251	201.8
[M+Na-2H]-	312.058066	162.7
[M]+	291.08285142	185.5
[M]-	291.08394858	185.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.