CID 82088

1-propanamine, 3-(decyloxy)-

Structural Information

Molecular Formula

C₁₃H₂₉NO

SMILES

CCCCCCCCCCOCCCN

InChI

InChI=1S/C13H29NO/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14/h2-14H2,1H3

InChIKey

TWXCJZHSMRBNGO-UHFFFAOYSA-N

Compound name

3-decoxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 956
Patents: 215.22491 Da
Monoisotopic Mass: 4.0
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]+	216.232186	158.0
[M+Na]+	238.214128	161.4
[M-H]-	214.217634	156.4
[M+NH4]+	233.258733	176.3
[M+K]+	254.188068	159.4
[M+H-H2O]+	198.222170	151.7
[M+HCOO]-	260.223111	180.1
[M+CH3COO]-	274.238761	194.5
[M+Na-2H]-	236.199576	160.5
[M]+	215.22436142	161.6
[M]-	215.22545858	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe