CID 117876

Pentaerythritol dimethacrylate

Structural Information

Molecular Formula
C13H20O6
SMILES
CC(=C)C(=O)OCC(CO)(CO)COC(=O)C(=C)C
InChI
InChI=1S/C13H20O6/c1-9(2)11(16)18-7-13(5-14,6-15)8-19-12(17)10(3)4/h14-15H,1,3,5-8H2,2,4H3
InChIKey
GQPVFBDWIUVLHG-UHFFFAOYSA-N
Compound name
[2,2-bis(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8925
Patents

272.12598 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13326 162.4
[M+Na]+ 295.11520 167.2
[M+NH4]+ 290.15980 164.6
[M+K]+ 311.08914 166.7
[M-H]- 271.11870 156.0
[M+Na-2H]- 293.10065 159.9
[M]+ 272.12543 160.5
[M]- 272.12653 160.5
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