CID 131802708

Dg(i-21:0/13:0/0:0)

Structural Information

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

2D Structure

compound 2d structure
2
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]+ 597.545236 259.4
[M+Na]+ 619.527178 264.3
[M-H]- 595.530684 246.4
[M+NH4]+ 614.571783 263.0
[M+K]+ 635.501118 266.8
[M+H-H2O]+ 579.535220 260.0
[M+HCOO]- 641.536161 258.5
[M+CH3COO]- 655.551811 264.5
[M+Na-2H]- 617.512626 243.2
[M]+ 596.53741142 259.1
[M]- 596.53850858 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.