CID 131752432

6-methyl-2-methylene-6-octene-1,3,8-triol

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

C/C(=C/CO)/CCC(C(=C)CO)O

InChI

InChI=1S/C10H18O3/c1-8(5-6-11)3-4-10(13)9(2)7-12/h5,10-13H,2-4,6-7H2,1H3/b8-5-

InChIKey

KSMRZTSAPKWVGY-YVMONPNESA-N

Compound name

(Z)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.1256 Da
Monoisotopic Mass: 0.7
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]+	187.13288	145.7
[M+Na]+	209.11482	152.5
[M+NH4]+	204.15942	150.7
[M+K]+	225.08876	149.3
[M-H]-	185.11832	141.8
[M+Na-2H]-	207.10027	145.2
[M]+	186.12505	145.0
[M]-	186.12615	145.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.