CID 104700784

Tert-butyl n-(5-bromo-4-oxopentan-2-yl)carbamate

Structural Information

Molecular Formula

C₁₀H₁₈BrNO₃

SMILES

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

InChI

InChI=1S/C10H18BrNO3/c1-7(5-8(13)6-11)12-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,12,14)

InChIKey

IKDRGCZVWLDJGF-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-bromo-4-oxopentan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 279.047 Da
Monoisotopic Mass: 1.8
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	158.5
[M+Na]+	302.036218	166.9
[M-H]-	278.039724	161.1
[M+NH4]+	297.080823	177.8
[M+K]+	318.010158	157.3
[M+H-H2O]+	262.044260	157.9
[M+HCOO]-	324.045201	176.0
[M+CH3COO]-	338.060851	198.5
[M+Na-2H]-	300.021666	161.6
[M]+	279.04645142	178.6
[M]-	279.04754858	178.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe