CID 5280335

Sphingosine

Structural Information

Molecular Formula
C18H37NO2
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O
InChI
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
InChIKey
WWUZIQQURGPMPG-KRWOKUGFSA-N
Compound name
(E,2S,3R)-2-aminooctadec-4-ene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

8696
References

37992
Patents

299.28244 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.28972 184.4
[M+Na]+ 322.27166 184.7
[M-H]- 298.27516 179.1
[M+NH4]+ 317.31626 197.6
[M+K]+ 338.24560 180.5
[M+H-H2O]+ 282.27970 177.6
[M+HCOO]- 344.28064 200.3
[M+CH3COO]- 358.29629 206.4
[M+Na-2H]- 320.25711 180.6
[M]+ 299.28189 185.3
[M]- 299.28299 185.3
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