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

92
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

literature stripe

Patent stripe

patents stripe