CID 44322045

Petroselinamide

Structural Information

Molecular Formula

C₁₈H₃₅NO

SMILES

CCCCCCCCCCC/C=C\CCCCC(=O)N

InChI

InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H2,19,20)/b13-12-

InChIKey

AWIZWICJDMFGHV-SEYXRHQNSA-N

Compound name

(Z)-octadec-6-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 37
Patents: 281.27185 Da
Monoisotopic Mass: 6.6
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]+	282.27913	177.1
[M+Na]+	304.26107	183.9
[M+NH4]+	299.30567	182.6
[M+K]+	320.23501	175.9
[M-H]-	280.26457	176.1
[M+Na-2H]-	302.24652	177.3
[M]+	281.27130	177.3
[M]-	281.27240	177.3

Literature stripe

literature stripe

Patent stripe

patents stripe