CID 15241411

2,6-dimethyl-7-octene-2,3,6-triol

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CC(C)(C(CCC(C)(C=C)O)O)O

InChI

InChI=1S/C10H20O3/c1-5-10(4,13)7-6-8(11)9(2,3)12/h5,8,11-13H,1,6-7H2,2-4H3

InChIKey

CNYFGLAROLNGDG-UHFFFAOYSA-N

Compound name

2,6-dimethyloct-7-ene-2,3,6-triol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 14
Patents: 188.14125 Da
Monoisotopic Mass: 0.4
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]+	189.148526	145.8
[M+Na]+	211.130468	151.0
[M-H]-	187.133974	141.7
[M+NH4]+	206.175073	163.6
[M+K]+	227.104408	149.1
[M+H-H2O]+	171.138510	142.5
[M+HCOO]-	233.139451	160.5
[M+CH3COO]-	247.155101	178.1
[M+Na-2H]-	209.115916	149.6
[M]+	188.14070142	144.8
[M]-	188.14179858	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe