CID 162916

1,2-didecanoyl-sn-glycerol

Structural Information

Molecular Formula
C23H44O5
SMILES
CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC
InChI
InChI=1S/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-20-21(19-24)28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3/t21-/m0/s1
InChIKey
GNSDEDOVXZDMKM-NRFANRHFSA-N
Compound name
[(2S)-2-decanoyloxy-3-hydroxypropyl] decanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

54
References

989
Patents

400.31888 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.32616 205.8
[M+Na]+ 423.30810 210.0
[M+NH4]+ 418.35270 216.0
[M+K]+ 439.28204 213.8
[M-H]- 399.31160 204.4
[M+Na-2H]- 421.29355 202.4
[M]+ 400.31833 204.5
[M]- 400.31943 204.5
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