CID 10731388

Refchem:1099642

Structural Information

Molecular Formula

C₁₈H₃₃NO

SMILES

CCCCCCCCC/C=C/C=C/C(=O)NCC(C)C

InChI

InChI=1S/C18H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17(2)3/h12-15,17H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+

InChIKey

AGJAUFUNZWHLKE-SQIWNDBBSA-N

Compound name

(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 8
Patents: 279.25623 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]+	280.26351	178.0
[M+Na]+	302.24545	180.0
[M-H]-	278.24895	176.3
[M+NH4]+	297.29005	193.9
[M+K]+	318.21939	176.2
[M+H-H2O]+	262.25349	171.3
[M+HCOO]-	324.25443	197.7
[M+CH3COO]-	338.27008	207.2
[M+Na-2H]-	300.23090	176.4
[M]+	279.25568	180.8
[M]-	279.25678	180.8

Literature stripe

literature stripe

Patent stripe

patents stripe