CID 131799447

Dg(22:0/0:0/12:0)

Structural Information

Molecular Formula
C37H72O5
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC)O
InChI
InChI=1S/C37H72O5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m0/s1
InChIKey
IEJJSOYUAJAAOU-DHUJRADRSA-N
Compound name
[(2S)-3-dodecanoyloxy-2-hydroxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.53796 Da
Monoisotopic Mass

15.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.54524 262.9
[M+Na]+ 619.52718 263.2
[M+NH4]+ 614.57178 263.6
[M+K]+ 635.50112 263.1
[M-H]- 595.53068 247.7
[M+Na-2H]- 617.51263 261.2
[M]+ 596.53741 258.9
[M]- 596.53851 258.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.