CID 6436342

N,n-dibutyloleamide

Structural Information

Molecular Formula

C₂₆H₅₁NO

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)N(CCCC)CCCC

InChI

InChI=1S/C26H51NO/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27(24-8-5-2)25-9-6-3/h15-16H,4-14,17-25H2,1-3H3/b16-15-

InChIKey

YMGHPIVBMBXPCR-NXVVXOECSA-N

Compound name

(Z)-N,N-dibutyloctadec-9-enamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 55
Patents: 393.39706 Da
Monoisotopic Mass: 9.7
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]+	394.40434	211.7
[M+Na]+	416.38628	217.4
[M+NH4]+	411.43088	223.3
[M+K]+	432.36022	207.8
[M-H]-	392.38978	210.8
[M+Na-2H]-	414.37173	210.5
[M]+	393.39651	211.9
[M]-	393.39761	211.9

Literature stripe

literature stripe

Patent stripe

patents stripe