CID 81723

7299-86-7

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CC1(COC(OC1)C(C)(C)CO)C

InChI

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

InChIKey

ZNPKUZZRGKREJM-UHFFFAOYSA-N

Compound name

2-(5,5-dimethyl-1,3-dioxan-2-yl)-2-methylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 188.14125 Da
Monoisotopic Mass: 1.6
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]+	189.14853	141.8
[M+Na]+	211.13047	147.6
[M-H]-	187.13397	145.0
[M+NH4]+	206.17507	160.5
[M+K]+	227.10441	149.4
[M+H-H2O]+	171.13851	137.9
[M+HCOO]-	233.13945	157.5
[M+CH3COO]-	247.15510	180.1
[M+Na-2H]-	209.11592	149.6
[M]+	188.14070	141.8
[M]-	188.14180	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe