CID 10448487

1-o-hexadecyl-sn-glycerol

Structural Information

Molecular Formula

C₁₉H₄₀O₃

SMILES

CCCCCCCCCCCCCCCCOC[C@H](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/t19-/m0/s1

InChIKey

OOWQBDFWEXAXPB-IBGZPJMESA-N

Compound name

(2S)-3-hexadecoxypropane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

5
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	188.4
[M+Na]+	339.28698	189.0
[M-H]-	315.29048	183.3
[M+NH4]+	334.33158	201.6
[M+K]+	355.26092	185.4
[M+H-H2O]+	299.29502	181.4
[M+HCOO]-	361.29596	204.5
[M+CH3COO]-	375.31161	207.6
[M+Na-2H]-	337.27243	186.2
[M]+	316.29721	194.4
[M]-	316.29831	194.4

Literature stripe

literature stripe

Patent stripe

patents stripe