CID 5352451

3,7-dimethyl-1,5-octadien-3,7-diol

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC(C)(/C=C/CC(C)(C=C)O)O

InChI

InChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3/b7-6+

InChIKey

QEOHJVNDENHRCH-VOTSOKGWSA-N

Compound name

(3E)-2,6-dimethylocta-3,7-diene-2,6-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 90
Patents: 170.13068 Da
Monoisotopic Mass: 1.1
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	141.1
[M+Na]+	193.119898	147.5
[M-H]-	169.123404	138.6
[M+NH4]+	188.164503	160.6
[M+K]+	209.093838	144.9
[M+H-H2O]+	153.127940	137.9
[M+HCOO]-	215.128881	158.4
[M+CH3COO]-	229.144531	176.1
[M+Na-2H]-	191.105346	146.7
[M]+	170.13013142	140.6
[M]-	170.13122858	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe