CID 76579

Pentaerythritol glycidyl ether

Structural Information

Molecular Formula
C17H28O8
SMILES
C1C(O1)COCC(COCC2CO2)(COCC3CO3)COCC4CO4
InChI
InChI=1S/C17H28O8/c1(13-5-22-13)18-9-17(10-19-2-14-6-23-14,11-20-3-15-7-24-15)12-21-4-16-8-25-16/h13-16H,1-12H2
InChIKey
PLDLPVSQYMQDBL-UHFFFAOYSA-N
Compound name
2-[[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10465
Patents

360.1784 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.18568 108.1
[M+Na]+ 383.16762 115.1
[M+NH4]+ 378.21222 112.5
[M+K]+ 399.14156 120.0
[M-H]- 359.17112 122.8
[M+Na-2H]- 381.15307 118.8
[M]+ 360.17785 115.1
[M]- 360.17895 115.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe