CID 22321485

Peg-12 monoricinoleate

Structural Information

Molecular Formula

C₂₁H₄₀O₃

SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OCCC)O

InChI

InChI=1S/C21H40O3/c1-3-5-6-13-16-20(22)17-14-11-9-7-8-10-12-15-18-21(23)24-19-4-2/h11,14,20,22H,3-10,12-13,15-19H2,1-2H3/b14-11+

InChIKey

SFPNSCZLRJDTGT-SDNWHVSQSA-N

Compound name

propyl (E)-12-hydroxyoctadec-9-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 287
Patents: 340.29776 Da
Monoisotopic Mass: 7.0
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]+	341.305036	195.1
[M+Na]+	363.286978	195.8
[M-H]-	339.290484	191.3
[M+NH4]+	358.331583	208.0
[M+K]+	379.260918	192.0
[M+H-H2O]+	323.295020	188.0
[M+HCOO]-	385.295961	211.5
[M+CH3COO]-	399.311611	213.9
[M+Na-2H]-	361.272426	191.1
[M]+	340.29721142	201.6
[M]-	340.29830858	201.6

Literature stripe

literature stripe

Patent stripe

patents stripe