CID 6441802

Isopropyl ricinoleate

Structural Information

Molecular Formula
C21H40O3
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC(C)C)O
InChI
InChI=1S/C21H40O3/c1-4-5-6-13-16-20(22)17-14-11-9-7-8-10-12-15-18-21(23)24-19(2)3/h11,14,19-20,22H,4-10,12-13,15-18H2,1-3H3/b14-11-/t20-/m1/s1
InChIKey
SDYPTODXHIAHDF-ACQXMXPUSA-N
Compound name
propan-2-yl (Z,12R)-12-hydroxyoctadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

444
Patents

340.29776 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.30504 195.6
[M+Na]+ 363.28698 196.2
[M-H]- 339.29048 191.9
[M+NH4]+ 358.33158 208.5
[M+K]+ 379.26092 192.8
[M+H-H2O]+ 323.29502 188.6
[M+HCOO]- 385.29596 211.1
[M+CH3COO]- 399.31161 214.7
[M+Na-2H]- 361.27243 190.4
[M]+ 340.29721 201.5
[M]- 340.29831 201.5
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