CID 88443661

Ethylene glycol monoethyl ether ricinoleate

Structural Information

Molecular Formula
C22H42O4
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCCOCC)O
InChI
InChI=1S/C22H42O4/c1-3-5-6-13-16-21(23)17-14-11-9-7-8-10-12-15-18-22(24)26-20-19-25-4-2/h11,14,21,23H,3-10,12-13,15-20H2,1-2H3/b14-11-/t21-/m1/s1
InChIKey
DGMXBTUFCYOVFU-YXAHYSCSSA-N
Compound name
2-ethoxyethyl (Z,12R)-12-hydroxyoctadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

370.30832 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.31560 202.0
[M+Na]+ 393.29754 202.3
[M-H]- 369.30104 198.0
[M+NH4]+ 388.34214 204.4
[M+K]+ 409.27148 198.7
[M+H-H2O]+ 353.30558 194.5
[M+HCOO]- 415.30652 218.4
[M+CH3COO]- 429.32217 218.7
[M+Na-2H]- 391.28299 197.7
[M]+ 370.30777 210.4
[M]- 370.30887 210.4
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