CID 27423

Trimethylolpropane triacrylate

Structural Information

Molecular Formula
C15H20O6
SMILES
CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
InChI
InChI=1S/C15H20O6/c1-5-12(16)19-9-15(8-4,10-20-13(17)6-2)11-21-14(18)7-3/h5-7H,1-3,8-11H2,4H3
InChIKey
DAKWPKUUDNSNPN-UHFFFAOYSA-N
Compound name
2,2-bis(prop-2-enoyloxymethyl)butyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

61
References

75476
Patents

296.12598 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.133256 166.6
[M+Na]+ 319.115198 171.6
[M-H]- 295.118704 166.0
[M+NH4]+ 314.159803 181.6
[M+K]+ 335.089138 170.4
[M+H-H2O]+ 279.123240 161.2
[M+HCOO]- 341.124181 185.7
[M+CH3COO]- 355.139831 201.7
[M+Na-2H]- 317.100646 166.9
[M]+ 296.12543142 173.3
[M]- 296.12652858 173.3
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