CID 10607654

7-methyl-3-methylene-1,6,7-octanetriol

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

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

InChI

InChI=1S/C10H20O3/c1-8(6-7-11)4-5-9(12)10(2,3)13/h9,11-13H,1,4-7H2,2-3H3

InChIKey

FYRNCGDEPAEUMD-UHFFFAOYSA-N

Compound name

7-methyl-3-methylideneoctane-1,6,7-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 188.14125 Da
Monoisotopic Mass: 0.8
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]+	189.14853	145.5
[M+Na]+	211.13047	152.2
[M+NH4]+	206.17507	150.7
[M+K]+	227.10441	149.7
[M-H]-	187.13397	141.5
[M+Na-2H]-	209.11592	145.4
[M]+	188.14070	144.9
[M]-	188.14180	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe