CID 76740

Pentaerythritol tetramethacrylate

Structural Information

Molecular Formula
C21H28O8
SMILES
CC(=C)C(=O)OCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C
InChI
InChI=1S/C21H28O8/c1-13(2)17(22)26-9-21(10-27-18(23)14(3)4,11-28-19(24)15(5)6)12-29-20(25)16(7)8/h1,3,5,7,9-12H2,2,4,6,8H3
InChIKey
KGBBDBRJXGILTQ-UHFFFAOYSA-N
Compound name
[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14603
Patents

408.1784 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.18568 194.5
[M+Na]+ 431.16762 206.6
[M-H]- 407.17112 202.7
[M+NH4]+ 426.21222 212.8
[M+K]+ 447.14156 203.7
[M+H-H2O]+ 391.17566 199.5
[M+HCOO]- 453.17660 197.9
[M+CH3COO]- 467.19225 225.5
[M+Na-2H]- 429.15307 191.2
[M]+ 408.17785 198.4
[M]- 408.17895 198.4
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