CID 6436739

(z,z)-11,13-hexadecadienal

Structural Information

Molecular Formula

C₁₆H₂₈O

SMILES

CC/C=C\C=C/CCCCCCCCCC=O

InChI

InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-6,16H,2,7-15H2,1H3/b4-3-,6-5-

InChIKey

ZTJGMVSDMQAJPE-OUPQRBNQSA-N

Compound name

(11Z,13Z)-hexadeca-11,13-dienal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 59
References: 342
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]+	237.221296	162.9
[M+Na]+	259.203238	167.1
[M-H]-	235.206744	161.5
[M+NH4]+	254.247843	181.0
[M+K]+	275.177178	162.9
[M+H-H2O]+	219.211280	157.0
[M+HCOO]-	281.212221	184.3
[M+CH3COO]-	295.227871	195.6
[M+Na-2H]-	257.188686	164.8
[M]+	236.21347142	167.3
[M]-	236.21456858	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe