CID 131802136

Dg(12:0/8:0/0:0)

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No patent data available for this compound.