CID 24844132

91009-64-2

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CC1(C(CCC(O1)(C)CO)CO)C

InChI

InChI=1S/C10H20O3/c1-9(2)8(6-11)4-5-10(3,7-12)13-9/h8,11-12H,4-7H2,1-3H3

InChIKey

BBTHHMYINDYBIF-UHFFFAOYSA-N

Compound name

[6-(hydroxymethyl)-2,2,6-trimethyloxan-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.14125 Da
Monoisotopic Mass: 0.3
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	140.9
[M+Na]+	211.130468	147.7
[M-H]-	187.133974	142.6
[M+NH4]+	206.175073	162.4
[M+K]+	227.104408	147.6
[M+H-H2O]+	171.138510	137.8
[M+HCOO]-	233.139451	157.5
[M+CH3COO]-	247.155101	178.0
[M+Na-2H]-	209.115916	147.1
[M]+	188.14070142	139.8
[M]-	188.14179858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.