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

2
Annotation Hits: 0
References: 207
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	147.0
[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