CID 21897

5694-74-6

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CCCCC1(OCC(O1)CO)CC

InChI

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

InChIKey

UBMAWZHVNAFHQL-UHFFFAOYSA-N

Compound name

(2-butyl-2-ethyl-1,3-dioxolan-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 188.14125 Da
Monoisotopic Mass: 1.8
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	142.7
[M+Na]+	211.13047	148.9
[M-H]-	187.13397	145.7
[M+NH4]+	206.17507	163.0
[M+K]+	227.10441	149.9
[M+H-H2O]+	171.13851	138.7
[M+HCOO]-	233.13945	161.9
[M+CH3COO]-	247.15510	179.4
[M+Na-2H]-	209.11592	148.3
[M]+	188.14070	145.2
[M]-	188.14180	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe