CID 167733685

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

Structural Information

Molecular Formula

C₁₀H₁₆BrNO₂

SMILES

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

InChI

InChI=1S/C10H16BrNO2/c1-7(11)8-5-12(6-8)9(13)14-10(2,3)4/h8H,1,5-6H2,2-4H3

InChIKey

GOPGOLLYAAQSDM-UHFFFAOYSA-N

Compound name

tert-butyl 3-(1-bromoethenyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.03644 Da
Monoisotopic Mass: 2.3
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]+	262.043716	147.6
[M+Na]+	284.025658	156.2
[M-H]-	260.029164	152.2
[M+NH4]+	279.070263	161.0
[M+K]+	299.999598	149.5
[M+H-H2O]+	244.033700	142.9
[M+HCOO]-	306.034641	162.5
[M+CH3COO]-	320.050291	195.9
[M+Na-2H]-	282.011106	151.4
[M]+	261.03589142	173.7
[M]-	261.03698858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.