CID 9862210

C20 sphingosine

Structural Information

Molecular Formula

C₂₀H₄₁NO₂

SMILES

CCCCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O

InChI

InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h16-17,19-20,22-23H,2-15,18,21H2,1H3/b17-16+/t19-,20+/m0/s1

InChIKey

HTJSZHKGNMXZJN-YIVRLKKSSA-N

Compound name

(E,2S,3R)-2-aminoicos-4-ene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 327.31372 Da
Monoisotopic Mass: 6.4
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]+	328.320996	193.1
[M+Na]+	350.302938	192.6
[M-H]-	326.306444	187.4
[M+NH4]+	345.347543	205.2
[M+K]+	366.276878	187.9
[M+H-H2O]+	310.310980	185.9
[M+HCOO]-	372.311921	208.3
[M+CH3COO]-	386.327571	212.4
[M+Na-2H]-	348.288386	188.3
[M]+	327.31317142	194.7
[M]-	327.31426858	194.7

Literature stripe

literature stripe

Patent stripe

patents stripe