CID 5354357

Glycol ricinoleate

Structural Information

Molecular Formula
C20H38O4
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCCO)O
InChI
InChI=1S/C20H38O4/c1-2-3-4-11-14-19(22)15-12-9-7-5-6-8-10-13-16-20(23)24-18-17-21/h9,12,19,21-22H,2-8,10-11,13-18H2,1H3/b12-9-/t19-/m1/s1
InChIKey
XLMXUUQMSMKFMH-UZRURVBFSA-N
Compound name
2-hydroxyethyl (Z,12R)-12-hydroxyoctadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

5183
Patents

342.277 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.28428 193.4
[M+Na]+ 365.26622 194.1
[M-H]- 341.26972 188.4
[M+NH4]+ 360.31082 205.4
[M+K]+ 381.24016 190.1
[M+H-H2O]+ 325.27426 186.4
[M+HCOO]- 387.27520 208.9
[M+CH3COO]- 401.29085 210.3
[M+Na-2H]- 363.25167 189.6
[M]+ 342.27645 199.1
[M]- 342.27755 199.1
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