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
3
Annotation Hits

0
References

9507
Patents

272.12598 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.133256 161.8
[M+Na]+ 295.115198 165.8
[M-H]- 271.118704 158.6
[M+NH4]+ 290.159803 176.4
[M+K]+ 311.089138 165.2
[M+H-H2O]+ 255.123240 157.0
[M+HCOO]- 317.124181 177.1
[M+CH3COO]- 331.139831 194.1
[M+Na-2H]- 293.100646 160.7
[M]+ 272.12543142 164.7
[M]- 272.12652858 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