CID 16211353

142356-33-0

Structural Information

Molecular Formula

C₁₁H₂₂BrNO₂

SMILES

CC(C)(C)OC(=O)NCCCCCCBr

InChI

InChI=1S/C11H22BrNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9H2,1-3H3,(H,13,14)

InChIKey

NXQXVXILNVTMNA-UHFFFAOYSA-N

Compound name

tert-butyl N-(6-bromohexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 695
Patents: 279.0834 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]+	280.09068	162.2
[M+Na]+	302.07262	170.5
[M-H]-	278.07612	164.5
[M+NH4]+	297.11722	181.9
[M+K]+	318.04656	159.9
[M+H-H2O]+	262.08066	161.5
[M+HCOO]-	324.08160	180.9
[M+CH3COO]-	338.09725	198.7
[M+Na-2H]-	300.05807	167.0
[M]+	279.08285	183.3
[M]-	279.08395	183.3

Literature stripe

literature stripe

Patent stripe

patents stripe