CID 114488

2,2,4-trimethyl-1,3-pentanediol dimethacrylate

Structural Information

Molecular Formula
C16H26O4
SMILES
CC(C)C(C(C)(C)COC(=O)C(=C)C)OC(=O)C(=C)C
InChI
InChI=1S/C16H26O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10,13H,3,5,9H2,1-2,4,6-8H3
InChIKey
TVGGFVNRRGKACD-UHFFFAOYSA-N
Compound name
[2,2,4-trimethyl-3-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

866
Patents

282.1831 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.19038 166.2
[M+Na]+ 305.17232 169.9
[M-H]- 281.17582 165.8
[M+NH4]+ 300.21692 182.0
[M+K]+ 321.14626 170.1
[M+H-H2O]+ 265.18036 161.6
[M+HCOO]- 327.18130 181.3
[M+CH3COO]- 341.19695 205.7
[M+Na-2H]- 303.15777 162.4
[M]+ 282.18255 170.1
[M]- 282.18365 170.1
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