CID 11046239

Sorbitan monolaurate

Structural Information

Molecular Formula
C18H34O6
SMILES
CCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O
InChI
InChI=1S/C18H34O6/c1-2-3-4-5-6-7-8-9-10-11-16(21)23-13-15(20)18-17(22)14(19)12-24-18/h14-15,17-20,22H,2-13H2,1H3/t14-,15+,17+,18+/m0/s1
InChIKey
LWZFANDGMFTDAV-BURFUSLBSA-N
Compound name
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

107
References

123727
Patents

346.23553 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.24281 188.7
[M+Na]+ 369.22475 189.9
[M-H]- 345.22825 186.9
[M+NH4]+ 364.26935 200.2
[M+K]+ 385.19869 188.3
[M+H-H2O]+ 329.23279 182.4
[M+HCOO]- 391.23373 201.9
[M+CH3COO]- 405.24938 206.6
[M+Na-2H]- 367.21020 184.2
[M]+ 346.23498 192.0
[M]- 346.23608 192.0
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