CID 72733

Chimyl alcohol

Structural Information

Molecular Formula

C₁₉H₄₀O₃

SMILES

CCCCCCCCCCCCCCCCOCC(CO)O

InChI

InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20/h19-21H,2-18H2,1H3

InChIKey

OOWQBDFWEXAXPB-UHFFFAOYSA-N

Compound name

3-hexadecoxypropane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 37
References: 7696
Patents: 316.29776 Da
Monoisotopic Mass: 6.5
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]+	317.30504	185.4
[M+Na]+	339.28698	191.4
[M+NH4]+	334.33158	190.0
[M+K]+	355.26092	184.4
[M-H]-	315.29048	182.6
[M+Na-2H]-	337.27243	184.2
[M]+	316.29721	185.0
[M]-	316.29831	185.0

Literature stripe

literature stripe

Patent stripe

patents stripe