CID 18373709

1-o-icosyl-glycerol

Structural Information

Molecular Formula

C₂₃H₄₈O₃

SMILES

CCCCCCCCCCCCCCCCCCCCOCC(CO)O

InChI

InChI=1S/C23H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-22-23(25)21-24/h23-25H,2-22H2,1H3

InChIKey

IKSHIHFYUOTYKW-UHFFFAOYSA-N

Compound name

3-icosoxypropane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 372.36035 Da
Monoisotopic Mass: 8.7
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]+	373.36763	205.8
[M+Na]+	395.34957	204.6
[M-H]-	371.35307	199.9
[M+NH4]+	390.39417	216.6
[M+K]+	411.32351	200.1
[M+H-H2O]+	355.35761	198.1
[M+HCOO]-	417.35855	220.6
[M+CH3COO]-	431.37420	219.3
[M+Na-2H]-	393.33502	201.5
[M]+	372.35980	213.3
[M]-	372.36090	213.3

Literature stripe

literature stripe

Patent stripe

patents stripe