CID 42608349

(4e,8e,10e-d18:3)sphingosine

Structural Information

Molecular Formula
C18H33NO2
SMILES
CCCCCCC/C=C/C=C/CC/C=C/[C@H]([C@H](CO)N)O
InChI
InChI=1S/C18H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h8-11,14-15,17-18,20-21H,2-7,12-13,16,19H2,1H3/b9-8+,11-10+,15-14+/t17-,18+/m0/s1
InChIKey
PZVYDNWEQXJZPQ-IYAOGOEGSA-N
Compound name
(2S,3R,4E,8E,10E)-2-aminooctadeca-4,8,10-triene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

295.25113 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.25841 181.9
[M+Na]+ 318.24035 183.0
[M-H]- 294.24385 176.8
[M+NH4]+ 313.28495 195.3
[M+K]+ 334.21429 177.6
[M+H-H2O]+ 278.24839 175.3
[M+HCOO]- 340.24933 198.2
[M+CH3COO]- 354.26498 203.4
[M+Na-2H]- 316.22580 178.1
[M]+ 295.25058 181.2
[M]- 295.25168 181.2
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