CID 4115029

109792-60-1

Structural Information

Molecular Formula

C₁₇H₃₆N₂O₂

SMILES

CC(C)(C)OC(=O)NCCCCCCCCCCCCN

InChI

InChI=1S/C17H36N2O2/c1-17(2,3)21-16(20)19-15-13-11-9-7-5-4-6-8-10-12-14-18/h4-15,18H2,1-3H3,(H,19,20)

InChIKey

ZFSCBYAYUUFEPJ-UHFFFAOYSA-N

Compound name

tert-butyl N-(12-aminododecyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 300.27768 Da
Monoisotopic Mass: 4.7
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]+	301.28496	182.4
[M+Na]+	323.26690	183.9
[M-H]-	299.27040	180.4
[M+NH4]+	318.31150	197.0
[M+K]+	339.24084	181.7
[M+H-H2O]+	283.27494	175.4
[M+HCOO]-	345.27588	202.1
[M+CH3COO]-	359.29153	211.7
[M+Na-2H]-	321.25235	182.5
[M]+	300.27713	185.9
[M]-	300.27823	185.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe