CID 131802097

Dg(8:0/18:0/0:0)

Structural Information

Molecular Formula
C29H56O5
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC
InChI
InChI=1S/C29H56O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-29(32)34-27(25-30)26-33-28(31)23-21-19-8-6-4-2/h27,30H,3-26H2,1-2H3/t27-/m0/s1
InChIKey
LXZPDGPEMPLRJJ-MHZLTWQESA-N
Compound name
[(2S)-1-hydroxy-3-octanoyloxypropan-2-yl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

484.41278 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.420056 232.1
[M+Na]+ 507.401998 237.8
[M-H]- 483.405504 220.5
[M+NH4]+ 502.446603 234.2
[M+K]+ 523.375938 236.5
[M+H-H2O]+ 467.410040 233.0
[M+HCOO]- 529.410981 236.6
[M+CH3COO]- 543.426631 241.5
[M+Na-2H]- 505.387446 218.7
[M]+ 484.41223142 232.0
[M]- 484.41332858 232.0
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.