CID 6453369

Sorbitan, monotetradecanoate

Structural Information

Molecular Formula
C20H38O6
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](CO)C1[C@@H]([C@H](CO1)O)O
InChI
InChI=1S/C20H38O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(23)26-17(14-21)20-19(24)16(22)15-25-20/h16-17,19-22,24H,2-15H2,1H3/t16-,17+,19+,20?/m0/s1
InChIKey
KHCJXZZSXZAYPX-RDNNMJBUSA-N
Compound name
[(1R)-1-[(3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.26685 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.27413 197.7
[M+Na]+ 397.25607 198.0
[M-H]- 373.25957 195.4
[M+NH4]+ 392.30067 208.0
[M+K]+ 413.23001 195.9
[M+H-H2O]+ 357.26411 190.9
[M+HCOO]- 419.26505 210.2
[M+CH3COO]- 433.28070 212.5
[M+Na-2H]- 395.24152 192.1
[M]+ 374.26630 201.7
[M]- 374.26740 201.7
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.