CID 5367704

Oleyl stearate

Structural Information

Molecular Formula
C36H70O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C36H70O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-35H2,1-2H3/b19-17-
InChIKey
YYDZACXIVKPEAI-ZPHPHTNESA-N
Compound name
[(Z)-octadec-9-enyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5697
Patents

534.5376 Da
Monoisotopic Mass

16.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.54488 251.9
[M+Na]+ 557.52682 257.9
[M-H]- 533.53032 232.9
[M+NH4]+ 552.57142 250.6
[M+K]+ 573.50076 258.6
[M+H-H2O]+ 517.53486 251.4
[M+HCOO]- 579.53580 259.8
[M+CH3COO]- 593.55145 257.3
[M+Na-2H]- 555.51227 236.0
[M]+ 534.53705 252.5
[M]- 534.53815 252.5
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

patents stripe