CID 5354176

Methyl acetyl ricinoleate

Structural Information

Molecular Formula
C21H38O4
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)OC(=O)C
InChI
InChI=1S/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3/b14-11-/t20-/m1/s1
InChIKey
CMOYPQWMTBSLJK-ACQXMXPUSA-N
Compound name
methyl (Z,12R)-12-acetyloxyoctadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

658
Patents

354.277 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.28428 193.5
[M+Na]+ 377.26622 199.3
[M+NH4]+ 372.31082 204.4
[M+K]+ 393.24016 193.1
[M-H]- 353.26972 190.0
[M+Na-2H]- 375.25167 191.5
[M]+ 354.27645 192.8
[M]- 354.27755 192.8
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