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 207.1
[M+Na]+ 475.12109 218.2
[M-H]- 451.12459 216.7
[M+NH4]+ 470.16569 225.8
[M+K]+ 491.09503 213.3
[M+H-H2O]+ 435.12913 213.4
[M+HCOO]- 497.13007 206.8
[M+CH3COO]- 511.14572 228.3
[M+Na-2H]- 473.10654 202.2
[M]+ 452.13132 208.5
[M]- 452.13242 208.5
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.