CID 130957254

2580189-94-0

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	145.2
[M+Na]+	272.02566	153.0
[M-H]-	248.02916	151.0
[M+NH4]+	267.07026	159.8
[M+K]+	287.99960	146.5
[M+H-H2O]+	232.03370	140.1
[M+HCOO]-	294.03464	163.0
[M+CH3COO]-	308.05029	195.2
[M+Na-2H]-	270.01111	150.5
[M]+	249.03589	170.7
[M]-	249.03699	170.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe