CID 10335874

1-hexadecyl-2-ammonio-2-deoxy-sn-glycerol

Structural Information

Molecular Formula

C₁₉H₄₁NO₂

SMILES

CCCCCCCCCCCCCCCCOC[C@H](CO)N

InChI

InChI=1S/C19H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(20)17-21/h19,21H,2-18,20H2,1H3/t19-/m0/s1

InChIKey

BAJLFGHOMLHSCH-IBGZPJMESA-N

Compound name

(2S)-2-amino-3-hexadecoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 315.31372 Da
Monoisotopic Mass: 6.3
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]+	316.320996	188.8
[M+Na]+	338.302938	188.9
[M-H]-	314.306444	184.5
[M+NH4]+	333.347543	202.1
[M+K]+	354.276878	185.4
[M+H-H2O]+	298.310980	181.3
[M+HCOO]-	360.311921	206.5
[M+CH3COO]-	374.327571	212.6
[M+Na-2H]-	336.288386	186.2
[M]+	315.31317142	193.4
[M]-	315.31426858	193.4

Literature stripe

literature stripe

Patent stripe

patents stripe