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 171.9
[M+Na]+ 341.12069 173.2
[M-H]- 317.12419 165.6
[M+NH4]+ 336.16529 182.4
[M+K]+ 357.09463 173.9
[M+H-H2O]+ 301.12873 166.6
[M+HCOO]- 363.12967 171.6
[M+CH3COO]- 377.14532 200.9
[M+Na-2H]- 339.10614 163.6
[M]+ 318.13092 172.2
[M]- 318.13202 172.2
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.