CID 120013

3-(isodecyloxy)propylamine

Structural Information

Molecular Formula

C₁₃H₂₉NO

SMILES

CC(C)CCCCCCCOCCCN

InChI

InChI=1S/C13H29NO/c1-13(2)9-6-4-3-5-7-11-15-12-8-10-14/h13H,3-12,14H2,1-2H3

InChIKey

DHIBIUNZWFPELU-UHFFFAOYSA-N

Compound name

3-(8-methylnonoxy)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 654
Patents: 215.22491 Da
Monoisotopic Mass: 3.7
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]+	216.232186	159.2
[M+Na]+	238.214128	162.4
[M-H]-	214.217634	157.6
[M+NH4]+	233.258733	177.5
[M+K]+	254.188068	160.9
[M+H-H2O]+	198.222170	153.0
[M+HCOO]-	260.223111	180.3
[M+CH3COO]-	274.238761	195.3
[M+Na-2H]-	236.199576	160.3
[M]+	215.22436142	162.1
[M]-	215.22545858	162.1

Literature stripe

literature stripe

Patent stripe

patents stripe