CID 165665094

2354688-01-8

Structural Information

Molecular Formula

C₁₀H₂₀BrNO₂

SMILES

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

InChI

InChI=1S/C10H20BrNO2/c1-8(7-11)5-6-12-9(13)14-10(2,3)4/h8H,5-7H2,1-4H3,(H,12,13)

InChIKey

DSOLNKJDIBIZFT-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-bromo-3-methylbutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.06775 Da
Monoisotopic Mass: 2.8
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]+	266.075026	158.0
[M+Na]+	288.056968	166.5
[M-H]-	264.060474	160.5
[M+NH4]+	283.101573	178.1
[M+K]+	304.030908	156.5
[M+H-H2O]+	248.065010	157.5
[M+HCOO]-	310.065951	176.1
[M+CH3COO]-	324.081601	196.6
[M+Na-2H]-	286.042416	162.1
[M]+	265.06720142	178.1
[M]-	265.06829858	178.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.