CID 19042

Pentaerythritol triacrylate

Structural Information

Molecular Formula
C14H18O7
SMILES
C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C
InChI
InChI=1S/C14H18O7/c1-4-11(16)19-8-14(7-15,9-20-12(17)5-2)10-21-13(18)6-3/h4-6,15H,1-3,7-10H2
InChIKey
HVVWZTWDBSEWIH-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

64
References

115042
Patents

298.10526 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11254 165.1
[M+Na]+ 321.09448 169.9
[M-H]- 297.09798 163.1
[M+NH4]+ 316.13908 175.0
[M+K]+ 337.06842 168.6
[M+H-H2O]+ 281.10252 159.8
[M+HCOO]- 343.10346 182.8
[M+CH3COO]- 357.11911 198.4
[M+Na-2H]- 319.07993 165.6
[M]+ 298.10471 170.9
[M]- 298.10581 170.9
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