CID 44150086

Sorbitan, mono-10-undecenoate

Structural Information

Molecular Formula
C17H30O6
SMILES
C=CCCCCCCCCC(=O)O[C@H](CO)[C@@H]1[C@@H]([C@H](CO1)O)O
InChI
InChI=1S/C17H30O6/c1-2-3-4-5-6-7-8-9-10-15(20)23-14(11-18)17-16(21)13(19)12-22-17/h2,13-14,16-19,21H,1,3-12H2/t13-,14+,16+,17+/m0/s1
InChIKey
RXFIWSTUNSCACT-XOSAIJSUSA-N
Compound name
[(1R)-1-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] undec-10-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

330.20422 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.21150 182.0
[M+Na]+ 353.19344 186.3
[M+NH4]+ 348.23804 184.9
[M+K]+ 369.16738 185.4
[M-H]- 329.19694 179.4
[M+Na-2H]- 351.17889 178.5
[M]+ 330.20367 181.1
[M]- 330.20477 181.1
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

patents stripe