CID 548898

Trideca-1,8,10-triene

Structural Information

Molecular Formula

C₁₃H₂₂

SMILES

CCC=CC=CCCCCCC=C

InChI

InChI=1S/C13H22/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,6,8,10,12H,1,4-5,7,9,11,13H2,2H3

InChIKey

BUPYQWCKNDOIJS-UHFFFAOYSA-N

Compound name

trideca-1,8,10-triene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 178.17215 Da
Monoisotopic Mass: 5.4
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]+	179.179426	145.9
[M+Na]+	201.161368	151.3
[M-H]-	177.164874	145.2
[M+NH4]+	196.205973	166.4
[M+K]+	217.135308	147.7
[M+H-H2O]+	161.169410	140.9
[M+HCOO]-	223.170351	168.1
[M+CH3COO]-	237.186001	184.6
[M+Na-2H]-	199.146816	149.6
[M]+	178.17160142	147.7
[M]-	178.17269858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe