CID 11118018

42997-42-2

Structural Information

Molecular Formula

C₁₅H₂₅NO

SMILES

CCCCC/C=C/C=C/C(=O)N1CCCCC1

InChI

InChI=1S/C15H25NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h6-7,9,12H,2-5,8,10-11,13-14H2,1H3/b7-6+,12-9+

InChIKey

ZPSGREUUQGTKDE-ZICOIJLXSA-N

Compound name

(2E,4E)-1-piperidin-1-yldeca-2,4-dien-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 135
Patents: 235.19362 Da
Monoisotopic Mass: 4.1
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]+	236.20090	161.4
[M+Na]+	258.18284	163.9
[M-H]-	234.18634	161.4
[M+NH4]+	253.22744	177.5
[M+K]+	274.15678	160.3
[M+H-H2O]+	218.19088	153.8
[M+HCOO]-	280.19182	178.1
[M+CH3COO]-	294.20747	191.5
[M+Na-2H]-	256.16829	162.1
[M]+	235.19307	158.1
[M]-	235.19417	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe