CID 4425284

2-(2-(dodecyloxy)-ethoxy)-ethylamine

Structural Information

Molecular Formula

C₁₆H₃₅NO₂

SMILES

CCCCCCCCCCCCOCCOCCN

InChI

InChI=1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-13-18-15-16-19-14-12-17/h2-17H2,1H3

InChIKey

BCIBHRWNSVBNIW-UHFFFAOYSA-N

Compound name

2-(2-dodecoxyethoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 273.26678 Da
Monoisotopic Mass: 4.7
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]+	274.274056	174.1
[M+Na]+	296.255998	176.2
[M-H]-	272.259504	171.8
[M+NH4]+	291.300603	190.0
[M+K]+	312.229938	173.9
[M+H-H2O]+	256.264040	166.9
[M+HCOO]-	318.264981	195.4
[M+CH3COO]-	332.280631	205.4
[M+Na-2H]-	294.241446	175.0
[M]+	273.26623142	180.2
[M]-	273.26732858	180.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe