CID 5354268

Diethylene glycol monoricinoleate

Structural Information

Molecular Formula
C22H42O5
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCCOCCO)O
InChI
InChI=1S/C22H42O5/c1-2-3-4-11-14-21(24)15-12-9-7-5-6-8-10-13-16-22(25)27-20-19-26-18-17-23/h9,12,21,23-24H,2-8,10-11,13-20H2,1H3/b12-9-/t21-/m1/s1
InChIKey
QUYITUXSUUKIRL-ZDKIGPTLSA-N
Compound name
2-(2-hydroxyethoxy)ethyl (Z,12R)-12-hydroxyoctadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

473
Patents

386.30322 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.31050 204.4
[M+Na]+ 409.29244 204.1
[M-H]- 385.29594 198.9
[M+NH4]+ 404.33704 204.8
[M+K]+ 425.26638 200.2
[M+H-H2O]+ 369.30048 196.8
[M+HCOO]- 431.30142 214.3
[M+CH3COO]- 445.31707 218.1
[M+Na-2H]- 407.27789 199.7
[M]+ 386.30267 212.2
[M]- 386.30377 212.2
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