CID 11220228

Sphinga-4e,8e-dienine

Structural Information

Molecular Formula
C18H35NO2
SMILES
CCCCCCCCC/C=C/CC/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/h10-11,14-15,17-18,20-21H,2-9,12-13,16,19H2,1H3/b11-10+,15-14+/t17-,18+/m0/s1
InChIKey
RTQVJTLVVBJRJG-SEXYCKHXSA-N
Compound name
(2S,3R,4E,8E)-2-aminooctadeca-4,8-diene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

46
Patents

297.26678 Da
Monoisotopic Mass

4.4
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

literature stripe

Patent stripe

patents stripe