CID 130957254

Tert-butyl n-(3-bromocyclobutyl)carbamate

Structural Information

Molecular Formula

C₉H₁₆BrNO₂

SMILES

CC(C)(C)OC(=O)NC1CC(C1)Br

InChI

InChI=1S/C9H16BrNO2/c1-9(2,3)13-8(12)11-7-4-6(10)5-7/h6-7H,4-5H2,1-3H3,(H,11,12)

InChIKey

PZFNRPBCGYMXDZ-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-bromocyclobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 249.03644 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]+	250.04372	151.5
[M+Na]+	272.02566	147.7
[M+NH4]+	267.07026	151.8
[M+K]+	287.99960	150.9
[M-H]-	248.02916	148.1
[M+Na-2H]-	270.01111	149.8
[M]+	249.03589	147.6
[M]-	249.03699	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe