CID 131802421

Dg(i-16:0/i-16:0/0:0)

Structural Information

Molecular Formula
C35H68O5
SMILES
CC(C)CCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC(C)C
InChI
InChI=1S/C35H68O5/c1-31(2)25-21-17-13-9-5-7-11-15-19-23-27-34(37)39-30-33(29-36)40-35(38)28-24-20-16-12-8-6-10-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m0/s1
InChIKey
XFLCOCLKDUMFFB-XIFFEERXSA-N
Compound name
[(2S)-3-hydroxy-2-(14-methylpentadecanoyloxy)propyl] 14-methylpentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.50665 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.51393 257.3
[M+Na]+ 591.49587 257.7
[M+NH4]+ 586.54047 259.8
[M+K]+ 607.46981 257.4
[M-H]- 567.49937 245.3
[M+Na-2H]- 589.48132 256.9
[M]+ 568.50610 254.3
[M]- 568.50720 254.3
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.