CID 83052

1,3-diisopropoxy-2-propanol

Structural Information

Molecular Formula

C₉H₂₀O₃

SMILES

CC(C)OCC(COC(C)C)O

InChI

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

InChIKey

AJJGRBMYVRSEES-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
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	141.4
[M+Na]+	199.13047	149.4
[M+NH4]+	194.17507	147.9
[M+K]+	215.10441	146.1
[M-H]-	175.13397	139.2
[M+Na-2H]-	197.11592	142.7
[M]+	176.14070	141.6
[M]-	176.14180	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe