CID 10868765

164365-88-2

Structural Information

Molecular Formula

C₉H₁₈BrNO₂

SMILES

CC(C)(C)OC(=O)NCCCCBr

InChI

InChI=1S/C9H18BrNO2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7H2,1-3H3,(H,11,12)

InChIKey

GKGFAEREWWZBKY-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-bromobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 713
Patents: 251.0521 Da
Monoisotopic Mass: 2.4
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]+	252.05938	152.1
[M+Na]+	274.04132	151.5
[M+NH4]+	269.08592	155.2
[M+K]+	290.01526	152.8
[M-H]-	250.04482	149.6
[M+Na-2H]-	272.02677	151.7
[M]+	251.05155	149.9
[M]-	251.05265	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe