CID 42608376

2s-amino-octadeca-4e,6e-diene-1,3r-diol

Structural Information

Molecular Formula
C18H35NO2
SMILES
CCCCCCCCCCC/C=C/C=C/[C@@H]([C@H](CO)N)O
InChI
InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h12-15,17-18,20-21H,2-11,16,19H2,1H3/b13-12+,15-14+/t17-,18-/m0/s1
InChIKey
BXFSVOSKIKQECX-WGLIYWIESA-N
Compound name
(2S,3S,4E,6E)-2-aminooctadeca-4,6-diene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.26678 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.27406 183.2
[M+Na]+ 320.25600 183.9
[M-H]- 296.25950 178.0
[M+NH4]+ 315.30060 196.5
[M+K]+ 336.22994 179.0
[M+H-H2O]+ 280.26404 176.5
[M+HCOO]- 342.26498 199.2
[M+CH3COO]- 356.28063 204.9
[M+Na-2H]- 318.24145 179.4
[M]+ 297.26623 183.2
[M]- 297.26733 183.2
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

No patent data available for this compound.