CID 62072

Tetradec-9-enal

Structural Information

Molecular Formula

C₁₄H₂₆O

SMILES

CCCCC=CCCCCCCCC=O

InChI

InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-6,14H,2-4,7-13H2,1H3

InChIKey

ANJAOCICJSRZSR-UHFFFAOYSA-N

Compound name

tetradec-9-enal

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 18
References: 1160
Patents: 210.19836 Da
Monoisotopic Mass: 5.0
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	155.4
[M+Na]+	233.187578	160.0
[M-H]-	209.191084	154.3
[M+NH4]+	228.232183	174.5
[M+K]+	249.161518	157.0
[M+H-H2O]+	193.195620	149.7
[M+HCOO]-	255.196561	177.2
[M+CH3COO]-	269.212211	191.1
[M+Na-2H]-	231.173026	158.3
[M]+	210.19781142	159.7
[M]-	210.19890858	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe