CID 44607806

Sorbitol pentaacrylate

Structural Information

Molecular Formula
C21H24O11
SMILES
C=CC(=O)OC[C@H]([C@H]([C@@H]([C@H](CO)OC(=O)C=C)OC(=O)C=C)OC(=O)C=C)OC(=O)C=C
InChI
InChI=1S/C21H24O11/c1-6-15(23)28-12-14(30-17(25)8-3)21(32-19(27)10-5)20(31-18(26)9-4)13(11-22)29-16(24)7-2/h6-10,13-14,20-22H,1-5,11-12H2/t13-,14+,20+,21+/m0/s1
InChIKey
WNIXCOAEDWUJQP-OCYQJKLISA-N
Compound name
[(2R,3R,4R,5S)-6-hydroxy-2,3,4,5-tetra(prop-2-enoyloxy)hexyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.13187 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.13915 205.2
[M+Na]+ 475.12109 208.3
[M+NH4]+ 470.16569 214.1
[M+K]+ 491.09503 208.3
[M-H]- 451.12459 211.1
[M+Na-2H]- 473.10654 214.2
[M]+ 452.13132 208.0
[M]- 452.13242 208.0
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

No patent data available for this compound.