CID 6436491

18485-38-6

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CCCCCCC/C=C/C=C/CO

InChI

InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h8-11,13H,2-7,12H2,1H3/b9-8+,11-10+

InChIKey

RZDDYVXRTNDWOD-BNFZFUHLSA-N

Compound name

(2E,4E)-dodeca-2,4-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 208
Patents: 182.16707 Da
Monoisotopic Mass: 4.2
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	147.2
[M+Na]+	205.15629	152.3
[M-H]-	181.15979	145.2
[M+NH4]+	200.20089	166.8
[M+K]+	221.13023	149.0
[M+H-H2O]+	165.16433	142.2
[M+HCOO]-	227.16527	168.3
[M+CH3COO]-	241.18092	181.6
[M+Na-2H]-	203.14174	150.7
[M]+	182.16652	148.8
[M]-	182.16762	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe