CID 109400

42443-72-1

Structural Information

Molecular Formula

C₁₉H₄₂N₂O

SMILES

CC(C)CCCCCCCCCCOCCCNCCCN

InChI

InChI=1S/C19H42N2O/c1-19(2)13-9-7-5-3-4-6-8-10-17-22-18-12-16-21-15-11-14-20/h19,21H,3-18,20H2,1-2H3

InChIKey

YZGGABQGIYPLRM-UHFFFAOYSA-N

Compound name

N'-[3-(11-methyldodecoxy)propyl]propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 314.3297 Da
Monoisotopic Mass: 5.3
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	188.6
[M+Na]+	337.31892	188.4
[M-H]-	313.32242	185.8
[M+NH4]+	332.36352	202.4
[M+K]+	353.29286	185.3
[M+H-H2O]+	297.32696	180.6
[M+HCOO]-	359.32790	208.7
[M+CH3COO]-	373.34355	218.2
[M+Na-2H]-	335.30437	186.9
[M]+	314.32915	192.9
[M]-	314.33025	192.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe