CID 91865737

Tg(38:0)

Structural Information

Molecular Formula
C41H78O6
SMILES
CCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C41H78O6/c1-4-7-10-13-16-19-20-23-25-28-31-34-40(43)46-37-38(47-41(44)35-32-29-26-22-18-15-12-9-6-3)36-45-39(42)33-30-27-24-21-17-14-11-8-5-2/h38H,4-37H2,1-3H3/t38-/m1/s1
InChIKey
SMUUMIRCIBXLGI-KXQOOQHDSA-N
Compound name
[(2R)-2,3-di(dodecanoyloxy)propyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

21
Patents

666.57983 Da
Monoisotopic Mass

16.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.58711 274.8
[M+Na]+ 689.56905 280.1
[M-H]- 665.57255 262.1
[M+NH4]+ 684.61365 281.7
[M+K]+ 705.54299 283.6
[M+H-H2O]+ 649.57709 276.4
[M+HCOO]- 711.57803 274.8
[M+CH3COO]- 725.59368 278.1
[M+Na-2H]- 687.55450 257.8
[M]+ 666.57928 275.8
[M]- 666.58038 275.8
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

patents stripe