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 153.9
[M+Na]+ 282.09482 161.2
[M-H]- 258.09832 153.0
[M+NH4]+ 277.13942 165.8
[M+K]+ 298.06876 159.9
[M+H-H2O]+ 242.10286 142.6
[M+HCOO]- 304.10380 164.7
[M+CH3COO]- 318.11945 198.9
[M+Na-2H]- 280.08027 154.1
[M]+ 259.10505 147.6
[M]- 259.10615 147.6
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.