CID 131802871

Dg(a-25:0/8:0/0:0)

Structural Information

Molecular Formula
C36H70O5
SMILES
CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C36H70O5/c1-4-6-7-22-27-30-36(39)41-34(31-37)32-40-35(38)29-26-24-21-19-17-15-13-11-9-8-10-12-14-16-18-20-23-25-28-33(3)5-2/h33-34,37H,4-32H2,1-3H3/t33?,34-/m0/s1
InChIKey
CDNHOINHWXQUMA-DNKZHYAASA-N
Compound name
[(2S)-3-hydroxy-2-octanoyloxypropyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

582.52234 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.529616 256.0
[M+Na]+ 605.511558 261.0
[M-H]- 581.515064 243.4
[M+NH4]+ 600.556163 259.6
[M+K]+ 621.485498 263.1
[M+H-H2O]+ 565.519600 256.7
[M+HCOO]- 627.520541 255.4
[M+CH3COO]- 641.536191 261.8
[M+Na-2H]- 603.497006 240.2
[M]+ 582.52179142 255.7
[M]- 582.52288858 255.7
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.