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 175.2
[M+Na]+ 327.17782 177.7
[M-H]- 303.18132 173.9
[M+NH4]+ 322.22242 188.4
[M+K]+ 343.15176 176.7
[M+H-H2O]+ 287.18586 169.4
[M+HCOO]- 349.18680 189.4
[M+CH3COO]- 363.20245 197.7
[M+Na-2H]- 325.16327 172.1
[M]+ 304.18805 177.4
[M]- 304.18915 177.4
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.