CID 44607804

Sorbitol dimethacrylate

Structural Information

Molecular Formula
C14H22O8
SMILES
CC(=C)C(=O)OC[C@H]([C@H]([C@@H]([C@H](COC(=O)C(=C)C)O)O)O)O
InChI
InChI=1S/C14H22O8/c1-7(2)13(19)21-5-9(15)11(17)12(18)10(16)6-22-14(20)8(3)4/h9-12,15-18H,1,3,5-6H2,2,4H3/t9-,10+,11-,12-/m1/s1
InChIKey
HUYJZRWNSOUPDP-WRWGMCAJSA-N
Compound name
[(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-(2-methylprop-2-enoyloxy)hexyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.13147 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.13875 171.6
[M+Na]+ 341.12069 173.0
[M+NH4]+ 336.16529 187.8
[M+K]+ 357.09463 182.6
[M-H]- 317.12419 185.0
[M+Na-2H]- 339.10614 165.5
[M]+ 318.13092 168.1
[M]- 318.13202 168.1
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

No patent data available for this compound.