CID 114953

Glycerol propoxylate triglycidyl ether

Structural Information

Molecular Formula
C21H38O9
SMILES
C1C(O1)COCCCOCC(COCCCOCC2CO2)OCCCOCC3CO3
InChI
InChI=1S/C21H38O9/c1(6-24-12-19-15-28-19)4-22-10-18(27-9-3-8-26-14-21-17-30-21)11-23-5-2-7-25-13-20-16-29-20/h18-21H,1-17H2
InChIKey
SOHMVTGXMYTRAT-UHFFFAOYSA-N
Compound name
2-[3-[1,3-bis[3-(oxiran-2-ylmethoxy)propoxy]propan-2-yloxy]propoxymethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

434.2516 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.25888 205.5
[M+Na]+ 457.24082 204.9
[M-H]- 433.24432 212.7
[M+NH4]+ 452.28542 198.1
[M+K]+ 473.21476 208.0
[M+H-H2O]+ 417.24886 198.2
[M+HCOO]- 479.24980 215.2
[M+CH3COO]- 493.26545 236.1
[M+Na-2H]- 455.22627 203.4
[M]+ 434.25105 220.7
[M]- 434.25215 220.7
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

patents stripe