CID 131799836

Dg(i-17:0/0:0/i-15:0)

Structural Information

Molecular Formula
C35H68O5
SMILES
CC(C)CCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCC(C)C)O
InChI
InChI=1S/C35H68O5/c1-31(2)25-21-17-13-9-6-5-7-11-15-19-23-27-34(37)39-29-33(36)30-40-35(38)28-24-20-16-12-8-10-14-18-22-26-32(3)4/h31-33,36H,5-30H2,1-4H3/t33-/m1/s1
InChIKey
MTWDRNJTEJZNSG-MGBGTMOVSA-N
Compound name
[(2R)-2-hydroxy-3-(13-methyltetradecanoyloxy)propyl] 15-methylhexadecanoate
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 251.9
[M+Na]+ 591.49587 257.6
[M-H]- 567.49937 241.1
[M+NH4]+ 586.54047 257.0
[M+K]+ 607.46981 259.8
[M+H-H2O]+ 551.50391 253.3
[M+HCOO]- 613.50485 249.3
[M+CH3COO]- 627.52050 259.8
[M+Na-2H]- 589.48132 237.2
[M]+ 568.50610 251.7
[M]- 568.50720 251.7
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.