CID 71587273

Salacos osis

Structural Information

Molecular Formula
C36H72O3
SMILES
CCCCCCCCCC(CCCCCCC)COC(=O)CCCCCCCCCCC(CCCCCC)O
InChI
InChI=1S/C36H72O3/c1-4-7-10-13-16-20-24-29-34(28-23-19-11-8-5-2)33-39-36(38)32-27-22-18-15-14-17-21-26-31-35(37)30-25-12-9-6-3/h34-35,37H,4-33H2,1-3H3
InChIKey
KBWKMVXKZLTKME-UHFFFAOYSA-N
Compound name
2-heptylundecyl 12-hydroxyoctadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

552.54816 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.55544 256.4
[M+Na]+ 575.53738 257.0
[M+NH4]+ 570.58198 256.2
[M+K]+ 591.51132 256.0
[M-H]- 551.54088 239.9
[M+Na-2H]- 573.52283 254.7
[M]+ 552.54761 251.8
[M]- 552.54871 251.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe