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]+ 319.138746 171.9
[M+Na]+ 341.120688 173.2
[M-H]- 317.124194 165.6
[M+NH4]+ 336.165293 182.4
[M+K]+ 357.094628 173.9
[M+H-H2O]+ 301.128730 166.6
[M+HCOO]- 363.129671 171.6
[M+CH3COO]- 377.145321 200.9
[M+Na-2H]- 339.106136 163.6
[M]+ 318.13092142 172.2
[M]- 318.13201858 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.