CID 155970238

Tert-butyl 3-(2-bromo-1-hydroxyethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₈BrNO₃

SMILES

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

InChI

InChI=1S/C10H18BrNO3/c1-10(2,3)15-9(14)12-5-7(6-12)8(13)4-11/h7-8,13H,4-6H2,1-3H3

InChIKey

WCWQZBFVNAULBZ-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-bromo-1-hydroxyethyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.047 Da
Monoisotopic Mass: 1.3
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]+	280.054276	153.1
[M+Na]+	302.036218	160.6
[M-H]-	278.039724	156.2
[M+NH4]+	297.080823	165.0
[M+K]+	318.010158	154.1
[M+H-H2O]+	262.044260	148.0
[M+HCOO]-	324.045201	166.5
[M+CH3COO]-	338.060851	196.2
[M+Na-2H]-	300.021666	156.2
[M]+	279.04645142	179.3
[M]-	279.04754858	179.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.