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]+ 453.139146 207.1
[M+Na]+ 475.121088 218.2
[M-H]- 451.124594 216.7
[M+NH4]+ 470.165693 225.8
[M+K]+ 491.095028 213.3
[M+H-H2O]+ 435.129130 213.4
[M+HCOO]- 497.130071 206.8
[M+CH3COO]- 511.145721 228.3
[M+Na-2H]- 473.106536 202.2
[M]+ 452.13132142 208.5
[M]- 452.13241858 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.