CID 5283274

5,7-dodecadien-1-ol

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CCCC/C=C/C=C/CCCCO

InChI

InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-8,13H,2-4,9-12H2,1H3/b6-5+,8-7+

InChIKey

JUDKGQZMLJXRJX-BSWSSELBSA-N

Compound name

(5E,7E)-dodeca-5,7-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 173
Patents: 182.16707 Da
Monoisotopic Mass: 3.8
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