CID 22338730

463930-53-2

Structural Information

Molecular Formula

C₁₆H₃₂BrNO₂

SMILES

CC(C)(C)OC(=O)NCCCCCCCCCCCBr

InChI

InChI=1S/C16H32BrNO2/c1-16(2,3)20-15(19)18-14-12-10-8-6-4-5-7-9-11-13-17/h4-14H2,1-3H3,(H,18,19)

InChIKey

DUEMGHARGAXFIJ-UHFFFAOYSA-N

Compound name

tert-butyl N-(11-bromoundecyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 349.16165 Da
Monoisotopic Mass: 5.8
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]+	350.16893	184.9
[M+Na]+	372.15087	191.2
[M-H]-	348.15437	186.2
[M+NH4]+	367.19547	201.9
[M+K]+	388.12481	179.3
[M+H-H2O]+	332.15891	183.2
[M+HCOO]-	394.15985	202.0
[M+CH3COO]-	408.17550	212.7
[M+Na-2H]-	370.13632	187.1
[M]+	349.16110	207.7
[M]-	349.16220	207.7

Literature stripe

literature stripe

Patent stripe

patents stripe