CID 54272587

Tridec-5-enal

Structural Information

Molecular Formula

C₁₃H₂₄O

SMILES

CCCCCCCC=CCCCC=O

InChI

InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h8-9,13H,2-7,10-12H2,1H3

InChIKey

DBNIGMYKSMMBSB-UHFFFAOYSA-N

Compound name

tridec-5-enal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 14
Patents: 196.18271 Da
Monoisotopic Mass: 4.5
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]+	197.18999	150.8
[M+Na]+	219.17193	160.6
[M+NH4]+	214.21653	157.9
[M+K]+	235.14587	152.3
[M-H]-	195.17543	150.2
[M+Na-2H]-	217.15738	153.5
[M]+	196.18216	151.8
[M]-	196.18326	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe