CID 22170

1,11-dodecadiene

Structural Information

Molecular Formula

C₁₂H₂₂

SMILES

C=CCCCCCCCCC=C

InChI

InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4H,1-2,5-12H2

InChIKey

IYPLTVKTLDQUGG-UHFFFAOYSA-N

Compound name

dodeca-1,11-diene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4944
Patents: 166.17215 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]+	167.17943	142.7
[M+Na]+	189.16137	148.0
[M-H]-	165.16487	142.0
[M+NH4]+	184.20597	163.5
[M+K]+	205.13531	145.2
[M+H-H2O]+	149.16941	137.6
[M+HCOO]-	211.17035	164.9
[M+CH3COO]-	225.18600	183.8
[M+Na-2H]-	187.14682	146.8
[M]+	166.17160	144.9
[M]-	166.17270	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.