CID 11616885

Eicosasphinganine

Structural Information

Molecular Formula
C20H43NO2
SMILES
CCCCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O
InChI
InChI=1S/C20H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h19-20,22-23H,2-18,21H2,1H3/t19-,20+/m0/s1
InChIKey
UFMHYBVQZSPWSS-VQTJNVASSA-N
Compound name
(2S,3R)-2-aminoicosane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

134
Patents

329.32938 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.33666 194.3
[M+Na]+ 352.31860 193.4
[M-H]- 328.32210 188.5
[M+NH4]+ 347.36320 206.3
[M+K]+ 368.29254 189.3
[M+H-H2O]+ 312.32664 187.0
[M+HCOO]- 374.32758 209.3
[M+CH3COO]- 388.34323 213.8
[M+Na-2H]- 350.30405 189.4
[M]+ 329.32883 196.7
[M]- 329.32993 196.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.