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

9086
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 161.8
[M+Na]+ 295.11520 165.8
[M-H]- 271.11870 158.6
[M+NH4]+ 290.15980 176.4
[M+K]+ 311.08914 165.2
[M+H-H2O]+ 255.12324 157.0
[M+HCOO]- 317.12418 177.1
[M+CH3COO]- 331.13983 194.1
[M+Na-2H]- 293.10065 160.7
[M]+ 272.12543 164.7
[M]- 272.12653 164.7
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