CID 76579

Pentaerythritol tetraglycidyl 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

10782
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 194.0
[M+Na]+ 383.16762 191.3
[M-H]- 359.17112 200.8
[M+NH4]+ 378.21222 185.3
[M+K]+ 399.14156 197.6
[M+H-H2O]+ 343.17566 188.8
[M+HCOO]- 405.17660 198.4
[M+CH3COO]- 419.19225 234.7
[M+Na-2H]- 381.15307 191.2
[M]+ 360.17785 202.9
[M]- 360.17895 202.9
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