CID 45919

Brn 0108187

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CCC(CC)C1(OCC(O1)CO)C

InChI

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

InChIKey

CHXCDXZCMNASDF-UHFFFAOYSA-N

Compound name

(2-methyl-2-pentan-3-yl-1,3-dioxolan-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.14125 Da
Monoisotopic Mass: 1.5
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	143.5
[M+Na]+	211.130468	149.4
[M-H]-	187.133974	146.5
[M+NH4]+	206.175073	163.8
[M+K]+	227.104408	150.9
[M+H-H2O]+	171.138510	139.7
[M+HCOO]-	233.139451	161.7
[M+CH3COO]-	247.155101	180.3
[M+Na-2H]-	209.115916	147.8
[M]+	188.14070142	145.3
[M]-	188.14179858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe