CID 139596678

Ns00095373

Structural Information

Molecular Formula
C30H60O8
SMILES
CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCC(=O)OCC(CO)O
InChI
InChI=1S/C30H60O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-34-21-23-36-25-26-37-24-22-35-20-18-30(33)38-28-29(32)27-31/h29,31-32H,2-28H2,1H3
InChIKey
PTDKCKMOFIJDTQ-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 3-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.42883 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.436106 246.6
[M+Na]+ 571.418048 248.3
[M-H]- 547.421554 233.7
[M+NH4]+ 566.462653 246.6
[M+K]+ 587.391988 247.1
[M+H-H2O]+ 531.426090 245.9
[M+HCOO]- 593.427031 250.4
[M+CH3COO]- 607.442681 247.8
[M+Na-2H]- 569.403496 229.4
[M]+ 548.42828142 245.4
[M]- 548.42937858 245.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.