CID 16221264

937367-26-5

Structural Information

Molecular Formula

C₁₆H₃₄N₂O₂

SMILES

CC(C)(C)OC(=O)NCCCCCCCCCCCN

InChI

InChI=1S/C16H34N2O2/c1-16(2,3)20-15(19)18-14-12-10-8-6-4-5-7-9-11-13-17/h4-14,17H2,1-3H3,(H,18,19)

InChIKey

BTKYLHCVXRGFLC-UHFFFAOYSA-N

Compound name

tert-butyl N-(11-aminoundecyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 286.26202 Da
Monoisotopic Mass: 4.1
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]+	287.269296	177.9
[M+Na]+	309.251238	179.9
[M-H]-	285.254744	176.1
[M+NH4]+	304.295843	193.1
[M+K]+	325.225178	178.0
[M+H-H2O]+	269.259280	171.2
[M+HCOO]-	331.260221	198.0
[M+CH3COO]-	345.275871	208.7
[M+Na-2H]-	307.236686	178.6
[M]+	286.26147142	181.1
[M]-	286.26256858	181.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe