CID 12991068

6-hydroxysphingosine

Structural Information

Molecular Formula
C18H37NO3
SMILES
CCCCCCCCCCCCC(/C=C/[C@H]([C@H](CO)N)O)O
InChI
InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16(21)13-14-18(22)17(19)15-20/h13-14,16-18,20-22H,2-12,15,19H2,1H3/b14-13+/t16?,17-,18+/m0/s1
InChIKey
LUZYTSCABOWJAC-HLJNGVMWSA-N
Compound name
(E,2S,3R)-2-aminooctadec-4-ene-1,3,6-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

278
Patents

315.27734 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.28462 187.9
[M+Na]+ 338.26656 187.5
[M-H]- 314.27006 181.2
[M+NH4]+ 333.31116 199.6
[M+K]+ 354.24050 183.5
[M+H-H2O]+ 298.27460 181.1
[M+HCOO]- 360.27554 201.4
[M+CH3COO]- 374.29119 206.9
[M+Na-2H]- 336.25201 182.3
[M]+ 315.27679 187.6
[M]- 315.27789 187.6
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