CID 106998

2-ethyl-1,3-hexanediol, dimethacrylate

Structural Information

Molecular Formula
C16H26O4
SMILES
CCCC(C(CC)COC(=O)C(=C)C)OC(=O)C(=C)C
InChI
InChI=1S/C16H26O4/c1-7-9-14(20-16(18)12(5)6)13(8-2)10-19-15(17)11(3)4/h13-14H,3,5,7-10H2,1-2,4,6H3
InChIKey
XCEMCGLOIBZVIY-UHFFFAOYSA-N
Compound name
[2-ethyl-3-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

282.1831 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.19038 170.0
[M+Na]+ 305.17232 173.3
[M-H]- 281.17582 169.2
[M+NH4]+ 300.21692 185.7
[M+K]+ 321.14626 172.9
[M+H-H2O]+ 265.18036 164.4
[M+HCOO]- 327.18130 186.6
[M+CH3COO]- 341.19695 205.4
[M+Na-2H]- 303.15777 164.9
[M]+ 282.18255 174.3
[M]- 282.18365 174.3
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