CID 5365756

11e,13-tetradecadienal

Structural Information

Molecular Formula

C₁₄H₂₄O

SMILES

C=C/C=C/CCCCCCCCCC=O

InChI

InChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-4,14H,1,5-13H2/b4-3+

InChIKey

SZDKVVYLPIWQLJ-ONEGZZNKSA-N

Compound name

(11E)-tetradeca-11,13-dienal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 118
Patents: 208.18271 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]+	209.18999	153.6
[M+Na]+	231.17193	158.5
[M-H]-	207.17543	152.6
[M+NH4]+	226.21653	172.7
[M+K]+	247.14587	154.9
[M+H-H2O]+	191.17997	148.0
[M+HCOO]-	253.18091	175.7
[M+CH3COO]-	267.19656	190.2
[M+Na-2H]-	229.15738	156.6
[M]+	208.18216	157.3
[M]-	208.18326	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe