CID 522841

Tetradec-13-enal

Structural Information

Molecular Formula

C₁₄H₂₆O

SMILES

C=CCCCCCCCCCCCC=O

InChI

InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,14H,1,3-13H2

InChIKey

ZVJRAGVPKPPDKE-UHFFFAOYSA-N

Compound name

tetradec-13-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 34
Patents: 210.19836 Da
Monoisotopic Mass: 5.5
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]+	211.205636	155.1
[M+Na]+	233.187578	159.7
[M-H]-	209.191084	154.0
[M+NH4]+	228.232183	174.2
[M+K]+	249.161518	156.7
[M+H-H2O]+	193.195620	149.4
[M+HCOO]-	255.196561	177.0
[M+CH3COO]-	269.212211	191.7
[M+Na-2H]-	231.173026	158.1
[M]+	210.19781142	159.6
[M]-	210.19890858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.