CID 12314351

Pisatoside

Structural Information

Molecular Formula
C10H15NO7
SMILES
C1=CNC(=O)C1OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C10H15NO7/c12-3-5-6(13)7(14)8(15)10(18-5)17-4-1-2-11-9(4)16/h1-2,4-8,10,12-15H,3H2,(H,11,16)
InChIKey
FHWQHJHJIXDREE-UHFFFAOYSA-N
Compound name
3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-dihydropyrrol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

261.08484 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09212 156.2
[M+Na]+ 284.07406 162.9
[M+NH4]+ 279.11866 159.7
[M+K]+ 300.04800 164.2
[M-H]- 260.07756 154.9
[M+Na-2H]- 282.05951 154.9
[M]+ 261.08429 156.0
[M]- 261.08539 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe