CID 109650

Ns00006852

Structural Information

Molecular Formula

C₁₈H₃₇NO

SMILES

CCOCCCCCCC=CCCCCCCCCN

InChI

InChI=1S/C18H37NO/c1-2-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h4,6H,2-3,5,7-19H2,1H3

InChIKey

OOBSUSUFVSSVFU-UHFFFAOYSA-N

Compound name

16-ethoxyhexadec-9-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.2875 Da
Monoisotopic Mass: 5.4
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]+	284.294776	178.9
[M+Na]+	306.276718	180.6
[M-H]-	282.280224	176.4
[M+NH4]+	301.321323	194.5
[M+K]+	322.250658	176.7
[M+H-H2O]+	266.284760	171.7
[M+HCOO]-	328.285701	199.6
[M+CH3COO]-	342.301351	208.0
[M+Na-2H]-	304.262166	178.8
[M]+	283.28695142	183.6
[M]-	283.28804858	183.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.