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

2
Patents

297.26678 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.274056 183.2
[M+Na]+ 320.255998 183.9
[M-H]- 296.259504 178.0
[M+NH4]+ 315.300603 196.5
[M+K]+ 336.229938 179.0
[M+H-H2O]+ 280.264040 176.5
[M+HCOO]- 342.264981 199.2
[M+CH3COO]- 356.280631 204.9
[M+Na-2H]- 318.241446 179.4
[M]+ 297.26623142 183.2
[M]- 297.26732858 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

patents stripe