CID 131803537

Tg(i-12:0/a-15:0/i-13:0)[rac]

Structural Information

Molecular Formula
C43H82O6
SMILES
CCC(C)CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C
InChI
InChI=1S/C43H82O6/c1-7-39(6)31-25-19-12-8-9-13-22-28-34-43(46)49-40(36-48-42(45)33-27-21-16-15-18-24-30-38(4)5)35-47-41(44)32-26-20-14-10-11-17-23-29-37(2)3/h37-40H,7-36H2,1-6H3/t39?,40-/m1/s1
InChIKey
PVMCCOVBYFDKHM-DHPKCYQYSA-N
Compound name
[(2R)-1-(11-methyldodecanoyloxy)-3-(10-methylundecanoyloxy)propan-2-yl] 12-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

694.61115 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 695.61843 287.5
[M+Na]+ 717.60037 287.0
[M+NH4]+ 712.64497 292.5
[M+K]+ 733.57431 288.8
[M-H]- 693.60387 276.1
[M+Na-2H]- 715.58582 285.4
[M]+ 694.61060 285.2
[M]- 694.61170 285.2
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.