CID 14559842

Osmaronin

Structural Information

Molecular Formula
C11H17NO6
SMILES
C/C(=C\C#N)/COC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C11H17NO6/c1-6(2-3-12)5-17-11-10(16)9(15)8(14)7(4-13)18-11/h2,7-11,13-16H,4-5H2,1H3/b6-2+
InChIKey
DAVUWBZDLSJMFA-QHHAFSJGSA-N
Compound name
(E)-3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

259.1056 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11288 155.3
[M+Na]+ 282.09482 162.1
[M+NH4]+ 277.13942 156.1
[M+K]+ 298.06876 157.4
[M-H]- 258.09832 146.7
[M+Na-2H]- 280.08027 152.0
[M]+ 259.10505 152.4
[M]- 259.10615 152.4
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

No patent data available for this compound.