CID 72207957

1408075-52-4

Structural Information

Molecular Formula

C₁₀H₁₈BrNO₂

SMILES

CC1(CN(C1)C(=O)OC(C)(C)C)CBr

InChI

InChI=1S/C10H18BrNO2/c1-9(2,3)14-8(13)12-6-10(4,5-11)7-12/h5-7H2,1-4H3

InChIKey

AIQVICNBUVBHFX-UHFFFAOYSA-N

Compound name

tert-butyl 3-(bromomethyl)-3-methylazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
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	146.8
[M+Na]+	286.041318	156.3
[M-H]-	262.044824	151.8
[M+NH4]+	281.085923	162.2
[M+K]+	302.015258	149.8
[M+H-H2O]+	246.049360	143.7
[M+HCOO]-	308.050301	162.6
[M+CH3COO]-	322.065951	195.5
[M+Na-2H]-	284.026766	153.1
[M]+	263.05155142	174.7
[M]-	263.05264858	174.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe