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

926
Patents

282.1831 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.190376 166.2
[M+Na]+ 305.172318 169.9
[M-H]- 281.175824 165.8
[M+NH4]+ 300.216923 182.0
[M+K]+ 321.146258 170.1
[M+H-H2O]+ 265.180360 161.6
[M+HCOO]- 327.181301 181.3
[M+CH3COO]- 341.196951 205.7
[M+Na-2H]- 303.157766 162.4
[M]+ 282.18255142 170.1
[M]- 282.18364858 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