CID 11321436

58797-58-3

Structural Information

Molecular Formula

C₁₀H₂₂O₃

SMILES

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

InChI

InChI=1S/C10H22O3/c1-8(11)6-12-9(2)7-13-10(3,4)5/h8-9,11H,6-7H2,1-5H3

InChIKey

YNCSEVSDNUYVAY-UHFFFAOYSA-N

Compound name

1-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2065
Patents: 190.15689 Da
Monoisotopic Mass: 1.1
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]+	191.16417	147.0
[M+Na]+	213.14611	152.3
[M-H]-	189.14961	145.7
[M+NH4]+	208.19071	166.3
[M+K]+	229.12005	152.9
[M+H-H2O]+	173.15415	142.6
[M+HCOO]-	235.15509	165.3
[M+CH3COO]-	249.17074	183.9
[M+Na-2H]-	211.13156	149.7
[M]+	190.15634	150.5
[M]-	190.15744	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe