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: 4685
Patents: 342.277 Da
Monoisotopic Mass: 5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	343.284276	193.4
[M+Na]+	365.266218	194.1
[M-H]-	341.269724	188.4
[M+NH4]+	360.310823	205.4
[M+K]+	381.240158	190.1
[M+H-H2O]+	325.274260	186.4
[M+HCOO]-	387.275201	208.9
[M+CH3COO]-	401.290851	210.3
[M+Na-2H]-	363.251666	189.6
[M]+	342.27645142	199.1
[M]-	342.27754858	199.1

Literature stripe

literature stripe

Patent stripe

patents stripe