CID 5283378

69977-24-8

Structural Information

Molecular Formula

C₁₆H₂₈O

SMILES

CCC/C=C/C=C/CCCCCCCCC=O

InChI

InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,16H,2-3,8-15H2,1H3/b5-4+,7-6+

InChIKey

OSFASEAZCNYZBW-YTXTXJHMSA-N

Compound name

(10E,12E)-hexadeca-10,12-dienal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 26
References: 413
Patents: 236.21402 Da
Monoisotopic Mass: 5.7
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]+	237.22130	162.9
[M+Na]+	259.20324	167.1
[M-H]-	235.20674	161.5
[M+NH4]+	254.24784	181.0
[M+K]+	275.17718	162.9
[M+H-H2O]+	219.21128	157.0
[M+HCOO]-	281.21222	184.3
[M+CH3COO]-	295.22787	195.6
[M+Na-2H]-	257.18869	164.8
[M]+	236.21347	167.3
[M]-	236.21457	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe