CID 92896

1638-16-0

Structural Information

Molecular Formula

C₉H₂₀O₄

SMILES

CC(COCC(C)OCC(C)O)O

InChI

InChI=1S/C9H20O4/c1-7(10)4-12-6-9(3)13-5-8(2)11/h7-11H,4-6H2,1-3H3

InChIKey

LEQCJROTXBYLEU-UHFFFAOYSA-N

Compound name

1-[2-(2-hydroxypropoxy)propoxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 52
Patents: 192.13615 Da
Monoisotopic Mass: -0.1
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]+	193.14343	146.8
[M+Na]+	215.12537	151.1
[M-H]-	191.12887	143.8
[M+NH4]+	210.16997	164.8
[M+K]+	231.09931	151.6
[M+H-H2O]+	175.13341	141.8
[M+HCOO]-	237.13435	164.5
[M+CH3COO]-	251.15000	181.5
[M+Na-2H]-	213.11082	147.3
[M]+	192.13560	149.2
[M]-	192.13670	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe