CID 3614320

510754-90-2

Structural Information

Molecular Formula

C₁₄H₃₀N₂O₂

SMILES

CC(C)(C)OC(=O)NCCCCCCCCCN

InChI

InChI=1S/C14H30N2O2/c1-14(2,3)18-13(17)16-12-10-8-6-4-5-7-9-11-15/h4-12,15H2,1-3H3,(H,16,17)

InChIKey

GZUNGYDAMPRXSU-UHFFFAOYSA-N

Compound name

tert-butyl N-(9-aminononyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 258.23074 Da
Monoisotopic Mass: 3.0
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]+	259.23802	167.1
[M+Na]+	281.21996	172.6
[M+NH4]+	276.26456	172.1
[M+K]+	297.19390	167.8
[M-H]-	257.22346	165.4
[M+Na-2H]-	279.20541	167.5
[M]+	258.23019	166.9
[M]-	258.23129	166.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe