CID 51683

Swainsonine

Structural Information

Molecular Formula
C8H15NO3
SMILES
C1C[C@H]([C@@H]2[C@@H]([C@@H](CN2C1)O)O)O
InChI
InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2/t5-,6-,7-,8-/m1/s1
InChIKey
FXUAIOOAOAVCGD-WCTZXXKLSA-N
Compound name
(1S,2R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

630
References

11947
Patents

173.1052 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 137.6
[M+Na]+ 196.09442 144.0
[M-H]- 172.09792 136.4
[M+NH4]+ 191.13902 157.6
[M+K]+ 212.06836 141.3
[M+H-H2O]+ 156.10246 132.8
[M+HCOO]- 218.10340 152.0
[M+CH3COO]- 232.11905 171.9
[M+Na-2H]- 194.07987 139.6
[M]+ 173.10465 131.4
[M]- 173.10575 131.4
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