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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.