CID 131802129

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

Structural Information

Molecular Formula
C34H66O5
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCC
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)39-32(30-35)31-38-33(36)28-26-24-22-10-8-6-4-2/h32,35H,3-31H2,1-2H3/t32-/m0/s1
InChIKey
WCBIKDLZZSWASU-YTTGMZPUSA-N
Compound name
[(2S)-1-decanoyloxy-3-hydroxypropan-2-yl] henicosanoate
Related CIDs

2D Structure

compound 2d structure
3
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 252.8
[M+Na]+ 577.48022 253.4
[M+NH4]+ 572.52482 253.6
[M+K]+ 593.45416 252.8
[M-H]- 553.48372 238.7
[M+Na-2H]- 575.46567 252.1
[M]+ 554.49045 249.1
[M]- 554.49155 249.1
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.