CID 28594

Neopentyl glycol diglycidyl ether

Structural Information

Molecular Formula
C11H20O4
SMILES
CC(C)(COCC1CO1)COCC2CO2
InChI
InChI=1S/C11H20O4/c1-11(2,7-12-3-9-5-14-9)8-13-4-10-6-15-10/h9-10H,3-8H2,1-2H3
InChIKey
KUAUJXBLDYVELT-UHFFFAOYSA-N
Compound name
2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

36799
Patents

216.13615 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.14343 133.0
[M+Na]+ 239.12537 144.2
[M+NH4]+ 234.16997 140.4
[M+K]+ 255.09931 144.3
[M-H]- 215.12887 147.9
[M+Na-2H]- 237.11082 142.3
[M]+ 216.13560 140.7
[M]- 216.13670 140.7
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