CID 13341683

2-acetyl-1-octadecyl-sn-glycerol

Structural Information

Molecular Formula
C23H46O4
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](CO)OC(=O)C
InChI
InChI=1S/C23H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-21-23(20-24)27-22(2)25/h23-24H,3-21H2,1-2H3/t23-/m0/s1
InChIKey
HUQABGDIJUXLRG-QHCPKHFHSA-N
Compound name
[(2S)-1-hydroxy-3-octadecoxypropan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

386.3396 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.34688 207.9
[M+Na]+ 409.32882 207.4
[M-H]- 385.33232 203.6
[M+NH4]+ 404.37342 210.2
[M+K]+ 425.30276 204.1
[M+H-H2O]+ 369.33686 200.0
[M+HCOO]- 431.33780 218.8
[M+CH3COO]- 445.35345 223.0
[M+Na-2H]- 407.31427 203.0
[M]+ 386.33905 217.4
[M]- 386.34015 217.4
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