CID 5365562

9e,11-dodecadien-1-ol

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

C=C/C=C/CCCCCCCCO

InChI

InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-4,13H,1,5-12H2/b4-3+

InChIKey

OIMIXJLPIJKPDM-ONEGZZNKSA-N

Compound name

(9E)-dodeca-9,11-dien-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
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	152.0
[M-H]-	181.15979	144.9
[M+NH4]+	200.20089	166.5
[M+K]+	221.13023	148.6
[M+H-H2O]+	165.16433	142.0
[M+HCOO]-	227.16527	168.0
[M+CH3COO]-	241.18092	182.3
[M+Na-2H]-	203.14174	150.5
[M]+	182.16652	148.7
[M]-	182.16762	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe