CID 6421281

13552-96-0

Structural Information

Molecular Formula

C₁₃H₂₀O

SMILES

CCCCC/C=C\C/C=C\C=C\C=O

InChI

InChI=1S/C13H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h6-7,9-13H,2-5,8H2,1H3/b7-6-,10-9-,12-11+

InChIKey

BIXIZZVISIZZDM-JSHIYTDESA-N

Compound name

(2E,4Z,7Z)-trideca-2,4,7-trienal

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 267
Patents: 192.15141 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]+	193.15869	147.7
[M+Na]+	215.14063	153.6
[M-H]-	191.14413	147.1
[M+NH4]+	210.18523	167.6
[M+K]+	231.11457	149.7
[M+H-H2O]+	175.14867	142.6
[M+HCOO]-	237.14961	170.4
[M+CH3COO]-	251.16526	184.9
[M+Na-2H]-	213.12608	151.4
[M]+	192.15086	150.2
[M]-	192.15196	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe