CID 6436067

111-08-0

Structural Information

Molecular Formula

C₂₁H₄₂N₂O

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCCCN

InChI

InChI=1S/C21H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)23-20-17-19-22/h9-10H,2-8,11-20,22H2,1H3,(H,23,24)/b10-9-

InChIKey

ZHNIMKDTJODGTK-KTKRTIGZSA-N

Compound name

(Z)-N-(3-aminopropyl)octadec-9-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 79
Patents: 338.3297 Da
Monoisotopic Mass: 6.4
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]+	339.33698	194.9
[M+Na]+	361.31892	194.5
[M-H]-	337.32242	191.8
[M+NH4]+	356.36352	207.7
[M+K]+	377.29286	189.8
[M+H-H2O]+	321.32696	186.7
[M+HCOO]-	383.32790	214.7
[M+CH3COO]-	397.34355	221.2
[M+Na-2H]-	359.30437	192.2
[M]+	338.32915	198.4
[M]-	338.33025	198.4

Literature stripe

literature stripe

Patent stripe

patents stripe