CID 54725318

Ascorbyl stearate

Structural Information

Molecular Formula
C24H42O7
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O
InChI
InChI=1S/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h19,23,25,27-28H,2-18H2,1H3/t19-,23+/m0/s1
InChIKey
LITUBCVUXPBCGA-WMZHIEFXSA-N
Compound name
[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

19
References

13742
Patents

442.29306 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.30034 214.1
[M+Na]+ 465.28228 214.6
[M-H]- 441.28578 211.9
[M+NH4]+ 460.32688 221.8
[M+K]+ 481.25622 211.7
[M+H-H2O]+ 425.29032 206.8
[M+HCOO]- 487.29126 227.1
[M+CH3COO]- 501.30691 226.5
[M+Na-2H]- 463.26773 207.1
[M]+ 442.29251 222.1
[M]- 442.29361 222.1
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

patents stripe