CID 6437405

Ethyl ricinoleate

Structural Information

Molecular Formula
C20H38O3
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCC)O
InChI
InChI=1S/C20H38O3/c1-3-5-6-13-16-19(21)17-14-11-9-7-8-10-12-15-18-20(22)23-4-2/h11,14,19,21H,3-10,12-13,15-18H2,1-2H3/b14-11-/t19-/m1/s1
InChIKey
AZXVZUBIFYQWJK-KWRJMZDGSA-N
Compound name
ethyl (Z,12R)-12-hydroxyoctadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

873
Patents

326.2821 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.28938 190.6
[M+Na]+ 349.27132 191.8
[M-H]- 325.27482 187.0
[M+NH4]+ 344.31592 204.1
[M+K]+ 365.24526 188.2
[M+H-H2O]+ 309.27936 183.7
[M+HCOO]- 371.28030 207.4
[M+CH3COO]- 385.29595 210.9
[M+Na-2H]- 347.25677 187.2
[M]+ 326.28155 196.8
[M]- 326.28265 196.8
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

No patent data available for this compound.