CID 115364893

1397707-56-0

Structural Information

Molecular Formula

C₁₀H₂₀BrNO₂

SMILES

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

InChI

InChI=1S/C10H20BrNO2/c1-9(2,3)14-8(13)12-7-10(4,5)6-11/h6-7H2,1-5H3,(H,12,13)

InChIKey

AGIDVDMCVNOYCM-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-bromo-2,2-dimethylpropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.06775 Da
Monoisotopic Mass: 2.9
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	157.5
[M+Na]+	288.056968	166.7
[M-H]-	264.060474	160.4
[M+NH4]+	283.101573	177.8
[M+K]+	304.030908	156.7
[M+H-H2O]+	248.065010	157.7
[M+HCOO]-	310.065951	175.1
[M+CH3COO]-	324.081601	196.3
[M+Na-2H]-	286.042416	163.7
[M]+	265.06720142	177.8
[M]-	265.06829858	177.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.