CID 53484565

Tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₈BrNO₃

SMILES

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

InChI

InChI=1S/C10H18BrNO3/c1-10(2,3)15-9(13)12-6-8(7-12)14-5-4-11/h8H,4-7H2,1-3H3

InChIKey

DXZWLAJPGMNMBR-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-bromoethoxy)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 279.047 Da
Monoisotopic Mass: 1.6
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	149.9
[M+Na]+	302.036218	158.3
[M-H]-	278.039724	154.3
[M+NH4]+	297.080823	162.7
[M+K]+	318.010158	152.2
[M+H-H2O]+	262.044260	144.9
[M+HCOO]-	324.045201	165.8
[M+CH3COO]-	338.060851	197.7
[M+Na-2H]-	300.021666	155.0
[M]+	279.04645142	178.5
[M]-	279.04754858	178.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe