CID 42608344

5-hydroxy,3e-sphingosine

Structural Information

Molecular Formula
C18H37NO2
SMILES
CCCCCCCCCCCCCC(/C=C/[C@H](CO)N)O
InChI
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(21)15-14-17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18?/m1/s1
InChIKey
ZQYNBVSXIQZMEO-TVSYHJGPSA-N
Compound name
(E,2R)-2-aminooctadec-3-ene-1,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.28244 Da
Monoisotopic Mass

5.0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.