CID 169501850

Ns00121236

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CC(=CCO)CC[C@@H](C(C)(C)O)O

InChI

InChI=1S/C10H20O3/c1-8(6-7-11)4-5-9(12)10(2,3)13/h6,9,11-13H,4-5,7H2,1-3H3/t9-/m0/s1

InChIKey

FBAPOIPDUVYEKZ-VIFPVBQESA-N

Compound name

(6S)-3,7-dimethyloct-2-ene-1,6,7-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.14125 Da
Monoisotopic Mass: 0.6
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]+	189.148526	147.0
[M+Na]+	211.130468	151.7
[M-H]-	187.133974	142.8
[M+NH4]+	206.175073	164.8
[M+K]+	227.104408	149.8
[M+H-H2O]+	171.138510	143.1
[M+HCOO]-	233.139451	162.4
[M+CH3COO]-	247.155101	177.8
[M+Na-2H]-	209.115916	148.6
[M]+	188.14070142	145.8
[M]-	188.14179858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.