CID 72207693

1363378-23-7

Structural Information

Molecular Formula

C₉H₁₆BrNO₂

SMILES

CC(C)(C)OC(=O)N1CC[C@H]1CBr

InChI

InChI=1S/C9H16BrNO2/c1-9(2,3)13-8(12)11-5-4-7(11)6-10/h7H,4-6H2,1-3H3/t7-/m0/s1

InChIKey

YDUBHKXBYBMWRH-ZETCQYMHSA-N

Compound name

tert-butyl (2S)-2-(bromomethyl)azetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 249.03644 Da
Monoisotopic Mass: 2.1
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]+	250.04372	149.4
[M+Na]+	272.02566	146.5
[M+NH4]+	267.07026	149.5
[M+K]+	287.99960	149.7
[M-H]-	248.02916	145.1
[M+Na-2H]-	270.01111	147.7
[M]+	249.03589	145.5
[M]-	249.03699	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe