CID 11174511

4-hydroxy-8cis-sphingenine

Structural Information

Molecular Formula
C18H37NO3
SMILES
CCCCCCCCC/C=C\CCC[C@H]([C@H]([C@H](CO)N)O)O
InChI
InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10-/t16-,17+,18-/m0/s1
InChIKey
CQKNELOTFUSOTP-OGAXSGQXSA-N
Compound name
(Z,2S,3S,4R)-2-aminooctadec-8-ene-1,3,4-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

375
Patents

315.27734 Da
Monoisotopic Mass

3.7
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

No literature data available for this compound.

Patent stripe

patents stripe