CID 113734

63716-05-2

Structural Information

Molecular Formula

C₉H₂₀O₃

SMILES

CC(C)OCC(CO)OC(C)C

InChI

InChI=1S/C9H20O3/c1-7(2)11-6-9(5-10)12-8(3)4/h7-10H,5-6H2,1-4H3

InChIKey

GBENKBLMGGFKNQ-UHFFFAOYSA-N

Compound name

2,3-di(propan-2-yloxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 176.14125 Da
Monoisotopic Mass: 0.9
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]+	177.14853	143.4
[M+Na]+	199.13047	148.2
[M-H]-	175.13397	141.9
[M+NH4]+	194.17507	162.9
[M+K]+	215.10441	149.2
[M+H-H2O]+	159.13851	138.5
[M+HCOO]-	221.13945	162.4
[M+CH3COO]-	235.15510	182.1
[M+Na-2H]-	197.11592	144.5
[M]+	176.14070	146.3
[M]-	176.14180	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe