CID 57349966

Tricyclodecanedimethanol dimethacrylate (mixture of isomers)

Structural Information

Molecular Formula
C20H28O4
SMILES
CC(=C)C(=O)OCC1(CCC2C1C3CCC2C3)COC(=O)C(=C)C
InChI
InChI=1S/C20H28O4/c1-12(2)18(21)23-10-20(11-24-19(22)13(3)4)8-7-16-14-5-6-15(9-14)17(16)20/h14-17H,1,3,5-11H2,2,4H3
InChIKey
XQRRTDNMGYNGRY-UHFFFAOYSA-N
Compound name
[3-(2-methylprop-2-enoyloxymethyl)-3-tricyclo[5.2.1.02,6]decanyl]methyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

332.19876 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.206036 189.9
[M+Na]+ 355.187978 193.5
[M-H]- 331.191484 192.5
[M+NH4]+ 350.232583 212.9
[M+K]+ 371.161918 190.3
[M+H-H2O]+ 315.196020 187.1
[M+HCOO]- 377.196961 203.6
[M+CH3COO]- 391.212611 211.3
[M+Na-2H]- 353.173426 183.5
[M]+ 332.19821142 190.8
[M]- 332.19930858 190.8
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