CID 131802084

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

Structural Information

Molecular Formula
C23H44O5
SMILES
CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC(C)C
InChI
InChI=1S/C23H44O5/c1-4-5-6-9-13-16-22(25)27-19-21(18-24)28-23(26)17-14-11-8-7-10-12-15-20(2)3/h20-21,24H,4-19H2,1-3H3/t21-/m0/s1
InChIKey
YOOKUAPBKLVNFX-NRFANRHFSA-N
Compound name
[(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] 10-methylundecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

400.31888 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.32616 205.4
[M+Na]+ 423.30810 209.3
[M+NH4]+ 418.35270 217.2
[M+K]+ 439.28204 214.2
[M-H]- 399.31160 205.9
[M+Na-2H]- 421.29355 201.7
[M]+ 400.31833 212.6
[M]- 400.31943 212.6
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.