CID 169819

Stearyl 12-hydroxystearate

Structural Information

Molecular Formula
C36H72O3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(CCCCCC)O
InChI
InChI=1S/C36H72O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-23-26-30-34-39-36(38)33-29-25-22-19-18-21-24-28-32-35(37)31-27-8-6-4-2/h35,37H,3-34H2,1-2H3
InChIKey
UGJBFCXWPCFKSG-UHFFFAOYSA-N
Compound name
octadecyl 12-hydroxyoctadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

324
Patents

552.54816 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.55544 255.7
[M+Na]+ 575.53738 256.3
[M+NH4]+ 570.58198 254.6
[M+K]+ 591.51132 255.4
[M-H]- 551.54088 238.0
[M+Na-2H]- 573.52283 253.7
[M]+ 552.54761 250.7
[M]- 552.54871 250.7
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