CID 131799332

Dg(21:0/0:0/10:0)

Structural Information

Molecular Formula
C34H66O5
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC)O
InChI
InChI=1S/C34H66O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-23-25-27-29-34(37)39-31-32(35)30-38-33(36)28-26-24-22-10-8-6-4-2/h32,35H,3-31H2,1-2H3/t32-/m0/s1
InChIKey
VYCCIBLGMCXWCB-YTTGMZPUSA-N
Compound name
[(2S)-3-decanoyloxy-2-hydroxypropyl] henicosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.491 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.49828 249.8
[M+Na]+ 577.48022 254.6
[M-H]- 553.48372 236.3
[M+NH4]+ 572.52482 251.7
[M+K]+ 593.45416 255.3
[M+H-H2O]+ 537.48826 250.1
[M+HCOO]- 599.48920 252.3
[M+CH3COO]- 613.50485 255.6
[M+Na-2H]- 575.46567 234.1
[M]+ 554.49045 249.3
[M]- 554.49155 249.3
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.