CID 71629071

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

Structural Information

Molecular Formula

C₁₀H₁₈BrNO₂

SMILES

CC(C1CN(C1)C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C10H18BrNO2/c1-7(11)8-5-12(6-8)9(13)14-10(2,3)4/h7-8H,5-6H2,1-4H3

InChIKey

XBCLFXIDLLRPCQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 263.0521 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]+	264.059376	149.1
[M+Na]+	286.041318	157.5
[M-H]-	262.044824	153.7
[M+NH4]+	281.085923	162.6
[M+K]+	302.015258	151.3
[M+H-H2O]+	246.049360	144.4
[M+HCOO]-	308.050301	163.9
[M+CH3COO]-	322.065951	196.7
[M+Na-2H]-	284.026766	152.9
[M]+	263.05155142	175.9
[M]-	263.05264858	175.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.