CID 14427207

Tert-butyl n-(1-bromo-3-methylbutan-2-yl)carbamate

Structural Information

Molecular Formula

C₁₀H₂₀BrNO₂

SMILES

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

InChI

InChI=1S/C10H20BrNO2/c1-7(2)8(6-11)12-9(13)14-10(3,4)5/h7-8H,6H2,1-5H3,(H,12,13)

InChIKey

MGTUVIJGSSSBTN-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-bromo-3-methylbutan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.06775 Da
Monoisotopic Mass: 3.1
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]+	266.075026	158.0
[M+Na]+	288.056968	166.3
[M-H]-	264.060474	160.7
[M+NH4]+	283.101573	178.1
[M+K]+	304.030908	156.8
[M+H-H2O]+	248.065010	157.6
[M+HCOO]-	310.065951	175.2
[M+CH3COO]-	324.081601	197.5
[M+Na-2H]-	286.042416	161.0
[M]+	265.06720142	177.5
[M]-	265.06829858	177.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.