CID 46224013

Tert-butyl n-(2-bromoacetyl)carbamate

Structural Information

Molecular Formula

C₇H₁₂BrNO₃

SMILES

CC(C)(C)OC(=O)NC(=O)CBr

InChI

InChI=1S/C7H12BrNO3/c1-7(2,3)12-6(11)9-5(10)4-8/h4H2,1-3H3,(H,9,10,11)

InChIKey

PIBOUPWSAWJWMG-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-bromoacetyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 237.00006 Da
Monoisotopic Mass: 1.5
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]+	238.00734	143.7
[M+Na]+	259.98928	142.8
[M+NH4]+	255.03388	146.2
[M+K]+	275.96322	145.8
[M-H]-	235.99278	140.4
[M+Na-2H]-	257.97473	143.1
[M]+	236.99951	141.1
[M]-	237.00061	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe