CID 62016

52673-60-6

Structural Information

Molecular Formula

C₁₉H₃₈O₁₀

SMILES

CC(CO)OCC1C(C(C(C(O1)OC)OC(C)CO)OC(C)CO)OC(C)CO

InChI

InChI=1S/C19H38O10/c1-11(6-20)25-10-15-16(26-12(2)7-21)17(27-13(3)8-22)18(19(24-5)29-15)28-14(4)9-23/h11-23H,6-10H2,1-5H3

InChIKey

GKFRSRGHGLRUBB-UHFFFAOYSA-N

Compound name

2-[[3,4,5-tris(1-hydroxypropan-2-yloxy)-6-methoxyoxan-2-yl]methoxy]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 426.2465 Da
Monoisotopic Mass: -1.5
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]+	427.253776	199.9
[M+Na]+	449.235718	199.6
[M-H]-	425.239224	196.8
[M+NH4]+	444.280323	205.5
[M+K]+	465.209658	202.3
[M+H-H2O]+	409.243760	192.7
[M+HCOO]-	471.244701	207.7
[M+CH3COO]-	485.260351	223.3
[M+Na-2H]-	447.221166	193.0
[M]+	426.24595142	206.1
[M]-	426.24704858	206.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.