CID 131799864

Dg(i-19:0/0:0/15:0)

Structural Information

Molecular Formula
C37H72O5
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCC(C)C)O
InChI
InChI=1S/C37H72O5/c1-4-5-6-7-8-9-10-15-18-21-24-27-30-36(39)41-32-35(38)33-42-37(40)31-28-25-22-19-16-13-11-12-14-17-20-23-26-29-34(2)3/h34-35,38H,4-33H2,1-3H3/t35-/m0/s1
InChIKey
PJOYJUGERSLBHI-DHUJRADRSA-N
Compound name
[(2S)-2-hydroxy-3-pentadecanoyloxypropyl] 17-methyloctadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.53796 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.54524 259.4
[M+Na]+ 619.52718 264.3
[M-H]- 595.53068 246.4
[M+NH4]+ 614.57178 263.0
[M+K]+ 635.50112 266.8
[M+H-H2O]+ 579.53522 260.0
[M+HCOO]- 641.53616 258.5
[M+CH3COO]- 655.55181 264.5
[M+Na-2H]- 617.51263 243.2
[M]+ 596.53741 259.1
[M]- 596.53851 259.1
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.