CID 1787910

Codlelure

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

C/C=C/C=C/CCCCCCCO

InChI

InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3/b3-2+,5-4+

InChIKey

CSWBSLXBXRFNST-MQQKCMAXSA-N

Compound name

(8E,10E)-dodeca-8,10-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 29
References: 5262
Patents: 182.16707 Da
Monoisotopic Mass: 3.9
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]+	183.17435	147.0
[M+Na]+	205.15629	156.5
[M+NH4]+	200.20089	154.0
[M+K]+	221.13023	148.7
[M-H]-	181.15979	145.9
[M+Na-2H]-	203.14174	149.3
[M]+	182.16652	147.7
[M]-	182.16762	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe