CID 89154

22023-23-0

Structural Information

Molecular Formula

C₁₉H₄₂N₂O

SMILES

CCCCCCCCCCCCCOCCCNCCCN

InChI

InChI=1S/C19H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-18-22-19-14-17-21-16-13-15-20/h21H,2-20H2,1H3

InChIKey

GKZAXVVXQZKVLY-UHFFFAOYSA-N

Compound name

N'-(3-tridecoxypropyl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 59
Patents: 314.3297 Da
Monoisotopic Mass: 5.5
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]+	315.33698	186.8
[M+Na]+	337.31892	186.7
[M-H]-	313.32242	183.8
[M+NH4]+	332.36352	200.6
[M+K]+	353.29286	183.2
[M+H-H2O]+	297.32696	178.7
[M+HCOO]-	359.32790	207.9
[M+CH3COO]-	373.34355	217.5
[M+Na-2H]-	335.30437	186.5
[M]+	314.32915	191.8
[M]-	314.33025	191.8

Literature stripe

literature stripe

Patent stripe

patents stripe