CID 166346

2,12-tridecadienal

Structural Information

Molecular Formula

C₁₃H₂₂O

SMILES

C=CCCCCCCCCC=CC=O

InChI

InChI=1S/C13H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2,11-13H,1,3-10H2

InChIKey

QIKYGYCMRRQODW-UHFFFAOYSA-N

Compound name

trideca-2,12-dienal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 194.16707 Da
Monoisotopic Mass: 4.8
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]+	195.174346	149.1
[M+Na]+	217.156288	154.4
[M-H]-	193.159794	148.2
[M+NH4]+	212.200893	168.7
[M+K]+	233.130228	151.1
[M+H-H2O]+	177.164330	143.7
[M+HCOO]-	239.165271	171.5
[M+CH3COO]-	253.180921	187.1
[M+Na-2H]-	215.141736	152.6
[M]+	194.16652142	152.4
[M]-	194.16761858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe