CID 131800501

Dg(i-20:0/0:0/i-20:0)

Structural Information

Molecular Formula
C43H84O5
SMILES
CC(C)CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC(C)C)O
InChI
InChI=1S/C43H84O5/c1-39(2)33-29-25-21-17-13-9-5-7-11-15-19-23-27-31-35-42(45)47-37-41(44)38-48-43(46)36-32-28-24-20-16-12-8-6-10-14-18-22-26-30-34-40(3)4/h39-41,44H,5-38H2,1-4H3
InChIKey
BSNLHBFNSOSISF-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(18-methylnonadecanoyloxy)propyl] 18-methylnonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

680.6319 Da
Monoisotopic Mass

17.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 681.63918 278.6
[M+Na]+ 703.62112 283.0
[M-H]- 679.62462 264.9
[M+NH4]+ 698.66572 283.7
[M+K]+ 719.59506 288.5
[M+H-H2O]+ 663.62916 279.2
[M+HCOO]- 725.63010 273.0
[M+CH3COO]- 739.64575 281.3
[M+Na-2H]- 701.60657 260.6
[M]+ 680.63135 278.5
[M]- 680.63245 278.5
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.