CID 6440539

75917-90-7

Structural Information

Molecular Formula

C₁₆H₂₅NO

SMILES

C/C=C/C=C\CC/C=C/C=C/C(=O)NCC(C)C

InChI

InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-7,10-13,15H,8-9,14H2,1-3H3,(H,17,18)/b5-4+,7-6-,11-10+,13-12+

InChIKey

VLGRWXYRKYWRPX-SRGJGADKSA-N

Compound name

(2E,4E,8Z,10E)-N-(2-methylpropyl)dodeca-2,4,8,10-tetraenamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 15
References: 173
Patents: 247.19362 Da
Monoisotopic Mass: 4.2
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]+	248.20090	165.9
[M+Na]+	270.18284	169.6
[M-H]-	246.18634	164.9
[M+NH4]+	265.22744	183.2
[M+K]+	286.15678	165.1
[M+H-H2O]+	230.19088	159.9
[M+HCOO]-	292.19182	186.8
[M+CH3COO]-	306.20747	198.0
[M+Na-2H]-	268.16829	165.5
[M]+	247.19307	166.5
[M]-	247.19417	166.5

Literature stripe

literature stripe

Patent stripe

patents stripe