CID 73556984

Sorbitan, nonanoate

Structural Information

Molecular Formula
C15H28O6
SMILES
CCCCCCCCC(=O)OCC([C@@H]1[C@@H]([C@H](CO1)O)O)O
InChI
InChI=1S/C15H28O6/c1-2-3-4-5-6-7-8-13(18)20-10-12(17)15-14(19)11(16)9-21-15/h11-12,14-17,19H,2-10H2,1H3/t11-,12?,14+,15+/m0/s1
InChIKey
VRZRXULAXVYIHW-HAOUFUCWSA-N
Compound name
[2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] nonanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

304.1886 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.19588 174.1
[M+Na]+ 327.17782 178.7
[M+NH4]+ 322.22242 177.5
[M+K]+ 343.15176 178.3
[M-H]- 303.18132 171.8
[M+Na-2H]- 325.16327 171.1
[M]+ 304.18805 173.3
[M]- 304.18915 173.3
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.