CID 5364421

Trans-5-tridecene

Structural Information

Molecular Formula

C₁₃H₂₆

SMILES

CCCCCCC/C=C/CCCC

InChI

InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h9,11H,3-8,10,12-13H2,1-2H3/b11-9+

InChIKey

VDFGUEPMNNLWOZ-PKNBQFBNSA-N

Compound name

(E)-tridec-5-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 402
Patents: 182.20345 Da
Monoisotopic Mass: 6.3
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]+	183.21073	149.2
[M+Na]+	205.19267	153.9
[M-H]-	181.19617	148.4
[M+NH4]+	200.23727	169.6
[M+K]+	221.16661	151.4
[M+H-H2O]+	165.20071	143.9
[M+HCOO]-	227.20165	170.9
[M+CH3COO]-	241.21730	187.1
[M+Na-2H]-	203.17812	152.7
[M]+	182.20290	152.4
[M]-	182.20400	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe