CID 5354171

Butyl acetyl ricinoleate

Structural Information

Molecular Formula
C24H44O4
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCCCC)OC(=O)C
InChI
InChI=1S/C24H44O4/c1-4-6-8-15-18-23(28-22(3)25)19-16-13-11-9-10-12-14-17-20-24(26)27-21-7-5-2/h13,16,23H,4-12,14-15,17-21H2,1-3H3/b16-13-/t23-/m1/s1
InChIKey
BEWFIPLBFJGWSR-AONZOJHOSA-N
Compound name
butyl (Z,12R)-12-acetyloxyoctadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

299
Patents

396.32397 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.33125 209.7
[M+Na]+ 419.31319 209.8
[M-H]- 395.31669 206.9
[M+NH4]+ 414.35779 214.0
[M+K]+ 435.28713 206.5
[M+H-H2O]+ 379.32123 201.9
[M+HCOO]- 441.32217 218.9
[M+CH3COO]- 455.33782 226.4
[M+Na-2H]- 417.29864 203.7
[M]+ 396.32342 219.4
[M]- 396.32452 219.4
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