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
2
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]+ 401.326156 209.9
[M+Na]+ 423.308098 209.2
[M-H]- 399.311604 202.0
[M+NH4]+ 418.352703 213.6
[M+K]+ 439.282038 207.1
[M+H-H2O]+ 383.316140 202.3
[M+HCOO]- 445.317081 214.3
[M+CH3COO]- 459.332731 225.1
[M+Na-2H]- 421.293546 202.7
[M]+ 400.31833142 210.2
[M]- 400.31942858 210.2
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.