CID 79671

N-decylpropane-1,3-diamine

Structural Information

Molecular Formula

C₁₃H₃₀N₂

SMILES

CCCCCCCCCCNCCCN

InChI

InChI=1S/C13H30N2/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14/h15H,2-14H2,1H3

InChIKey

FHKWCXVXPHXBAC-UHFFFAOYSA-N

Compound name

N'-decylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 234
Patents: 214.2409 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]+	215.248176	158.1
[M+Na]+	237.230118	160.6
[M-H]-	213.233624	156.3
[M+NH4]+	232.274723	176.0
[M+K]+	253.204058	158.1
[M+H-H2O]+	197.238160	151.4
[M+HCOO]-	259.239101	180.9
[M+CH3COO]-	273.254751	197.5
[M+Na-2H]-	235.215566	160.8
[M]+	214.24035142	159.3
[M]-	214.24144858	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe