CID 6321404

Cycasin

Structural Information

Molecular Formula
C8H16N2O7
SMILES
C/[N+](=N\CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/[O-]
InChI
InChI=1S/C8H16N2O7/c1-10(15)9-3-16-8-7(14)6(13)5(12)4(2-11)17-8/h4-8,11-14H,2-3H2,1H3/b10-9+/t4-,5-,6+,7-,8-/m1/s1
InChIKey
YHLRMABUJXBLCK-IRCVIWNGSA-N
Compound name
(E)-methyl-oxido-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylimino]azanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

79
References

94
Patents

252.09575 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10303 151.5
[M+Na]+ 275.08497 158.9
[M+NH4]+ 270.12957 155.7
[M+K]+ 291.05891 160.3
[M-H]- 251.08847 152.2
[M+Na-2H]- 273.07042 150.8
[M]+ 252.09520 152.0
[M]- 252.09630 152.0
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

No patent data available for this compound.