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
5
Annotation Hits

0
References

34013
Patents

216.13615 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.143426 158.5
[M+Na]+ 239.125368 165.0
[M-H]- 215.128874 166.6
[M+NH4]+ 234.169973 163.9
[M+K]+ 255.099308 166.8
[M+H-H2O]+ 199.133410 151.7
[M+HCOO]- 261.134351 175.5
[M+CH3COO]- 275.150001 199.1
[M+Na-2H]- 237.110816 164.0
[M]+ 216.13560142 168.3
[M]- 216.13669858 168.3
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