CID 5363397

26488-97-1

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

C/C(=C\CO)/CC/C=C(\C)/CO

InChI

InChI=1S/C10H18O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-6,11-12H,3-4,7-8H2,1-2H3/b9-6+,10-5+

InChIKey

PREUOUJFXMCMSJ-TXFIJWAUSA-N

Compound name

(2E,6E)-2,6-dimethylocta-2,6-diene-1,8-diol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 9
References: 201
Patents: 170.13068 Da
Monoisotopic Mass: 1.6
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]+	171.137956	143.0
[M+Na]+	193.119898	148.1
[M-H]-	169.123404	140.0
[M+NH4]+	188.164503	162.2
[M+K]+	209.093838	145.6
[M+H-H2O]+	153.127940	138.5
[M+HCOO]-	215.128881	161.4
[M+CH3COO]-	229.144531	176.4
[M+Na-2H]-	191.105346	144.3
[M]+	170.13013142	142.0
[M]-	170.13122858	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe