CID 131802585

Dg(i-19:0/8:0/0:0)

Structural Information

Molecular Formula
C30H58O5
SMILES
CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C30H58O5/c1-4-5-6-16-21-24-30(33)35-28(25-31)26-34-29(32)23-20-18-15-13-11-9-7-8-10-12-14-17-19-22-27(2)3/h27-28,31H,4-26H2,1-3H3/t28-/m0/s1
InChIKey
SBTWYVYIALZLFX-NDEPHWFRSA-N
Compound name
[(2S)-3-hydroxy-2-octanoyloxypropyl] 17-methyloctadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.42844 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.43572 239.7
[M+Na]+ 521.41766 240.6
[M+NH4]+ 516.46226 241.5
[M+K]+ 537.39160 239.3
[M-H]- 497.42116 228.1
[M+Na-2H]- 519.40311 240.6
[M]+ 498.42789 236.6
[M]- 498.42899 236.6
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.